SCHEMBL933853

SCHEMBL933853

NC(=O)CCCc1cccnc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.68
CYP2A6 P11509 1/20 0.62
RECQL P46063 1/20 0.60
HRH1 P35367 2/20 0.59
CHRNA7 P36544 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
MAPT P10636 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4304368 0.95 TBXAS1 (0.76) TBXAS1CYP2A6RECQLHRH1CHRNA7
SCHEMBL10772829 0.93 TBXAS1 (0.77) TBXAS1CYP2A6RECQLHRH1CHRNA7
SCHEMBL18248629 0.93 TBXAS1 (0.77) TBXAS1CYP2A6RECQLHRH1CHRNA7
SCHEMBL14959999 0.93 TBXAS1 (0.77) TBXAS1CYP2A6RECQLHRH1CHRNA7
SCHEMBL83186 0.91 RECQL (0.62) TBXAS1CYP2A6RECQLHRH1CHRNA7
Hydrochloric Acid SCHEMBL5349530 0.89 TBXAS1 (0.61) TBXAS1CYP2A6RECQLHRH1CHRNA7
SCHEMBL7165228 0.86 TBXAS1 (0.68) TBXAS1CYP2A6HRH1CHRNA7TDP1
SCHEMBL1583762 0.86 TBXAS1 (0.90) TBXAS1CYP2A6HRH1CHRNA7TDP1
SCHEMBL30612524 0.86 TBXAS1 (0.90) TBXAS1CYP2A6HRH1CHRNA7TDP1
SCHEMBL18248608 0.85 TBXAS1 (0.65) TBXAS1CYP2A6RECQLHRH1TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103687860-B As P2X7Heterocyclic amide derivatives of receptor antagonists 埃科特莱茵药品有限公司 2016-06-08 CN claimed
CN-103687860-A As P2X7Heterocyclic amide derivatives of receptor antagonists ACTELION PHARMACEUTICALS LTD 2014-03-26 CN claimed
CN-102389425-A Application of nicotinic acid derivates in preparation of medicaments for promoting follicular development and maintaining ovarian functions CHINESE PLA GENERAL HOSPITAL 2012-03-28 CN claimed
EP-0853618-B1 SUBSTITUTED (SULFINIC ACID, SULFONIC ACID, SULFONYLAMINO OR SULFINYLAMINO) N- (AMINOIMINOMETHYL)PHENYLALKYL -AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2011-08-17 EP claimed
CN-1812786-A Use of pyrazolopyridines for the treatment of cognitive deficits EXONHIT THERAPEUTICS SA (FR) 2006-08-02 CN claimed
CN-1780821-A Heterocyclic kinase inhibitors. ABBOTT LAB (US) 2006-05-31 CN claimed
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 CN disclosed
CN-106536507-A 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use 里格尔药品股份有限公司 2017-03-22 CN disclosed
CN-103687860-B As P2X7Heterocyclic amide derivatives of receptor antagonists 埃科特莱茵药品有限公司 2016-06-08 CN disclosed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 CN disclosed
CN-102389425-B Application of nicotinic acid derivates in preparation of medicaments for promoting follicular development and maintaining ovarian functions CHINESE PLA GENERAL HOSPITAL 2013-07-10 CN disclosed
EP-2454243-A2 TETRAZOLE DERIVATIVES Merck Serono SA (CH) 2012-05-23 EP disclosed
CN-102389425-A Application of nicotinic acid derivates in preparation of medicaments for promoting follicular development and maintaining ovarian functions CHINESE PLA GENERAL HOSPITAL 2012-03-28 CN disclosed
US-4131738-A 6-Hydroxy-PGE1 compounds THE UPJOHN COMPANY (US) 1978-12-26 US disclosed
US-4128713-A 6,7-Didehydro-PGI1 compounds THE UPJOHN COMPANY (US) 1978-12-05 US disclosed
US-4126744-A PROSTACYCLIN, MUSCLE STIMULANTS, PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4112224-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4109082-A PROSTACYCLIN ANALOGS; SMOOTH MUSCLE STIMULATORS THE UPJOHN COMPANY (US) 1978-08-22 US disclosed
US-4100192-A Inter-phenylene-PG amides THE UPJOHN COMPANY (US) 1978-07-11 US disclosed
US-4097489-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-06-27 US disclosed