SCHEMBL1737167

SCHEMBL1737167

Cc1cnc(C)c(N2CCNCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.50
CHRNA4 P43681 1/20 0.50
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2D6 P10635 1/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTR2C P28335 2/20 0.42
HRH4 Q9H3N8 1/20 0.42
CASP1 P29466 1/20 0.41
CYP2C19 P33261 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6358822 0.93 ROCK2 (0.47) CHRNB2CHRNA4
SCHEMBL7934123 0.85 CHRNB2 (0.46) CHRNB2CHRNA4CYP1A2CYP3A4TSHR
Hydrochloric Acid SCHEMBL2366855 0.84 CHRNB2 (0.45) CHRNB2CHRNA4CYP1A2CYP3A4TSHR
SCHEMBL3555696 0.79 L3MBTL1 (0.42) CYP1A2TSHRMEN1RECQLKMT2A
SCHEMBL23561114 0.77 HTR2C (0.49) ALDH1A1KDM4EHTR2C
SCHEMBL13035395 0.76 TSHR (0.57) TSHRMEN1KMT2AALDH1A1HPGD
SCHEMBL31652256 0.76 CHRNB2 (0.42) CHRNB2CHRNA4ALDH1A1HPGDKDM4E
SCHEMBL14083432 0.75 KMT2A (0.42) CYP1A2MEN1KMT2AALDH1A1HPGD
SCHEMBL14107789 0.75 KMT2A (0.51) CYP1A2TSHRMEN1KMT2AALDH1A1
SCHEMBL9014675 0.74 ADRB1 (0.49) CYP1A2CYP3A4TSHRMEN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117343101-A Method for preparing antiviral nucleotide analogues 吉利德科学公司 2024-01-05 CN claimed
EP-4636010-A1 IMPROVED COMPOSITIONS FOR SELF-BLOWING NON-ISOCYANATE POLYURETHANE FOAMS Université de Liège (BE) 2025-10-22 EP disclosed
EP-4606804-A1 METHOD FOR THE PREPARATION OF OXYGEN SUBSTITUTED CLOSO-CARBORATES beeOLED GmbH (DE) 2025-08-27 EP disclosed
EP-4591935-A2 METHODS FOR THE PREPARATION OF RIBOSIDES Gilead Sciences, Inc. (US) 2025-07-30 EP disclosed
CN-113549120-B Method for preparing ribonucleoside 吉利德科学公司 2025-04-29 CN disclosed
EP-4036099-B1 METHODS FOR THE PREPARATION OF RIBOSIDES GILEAD SCIENCES INC (US) 2025-03-19 EP disclosed
US-12139583-B2 Resin molding MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-11-12 US disclosed
CN-118812607-A Method for preparing ribonucleoside 吉利德科学公司 2024-10-22 CN disclosed
CN-117545785-A Biodegradable graft polymers 巴斯夫欧洲公司 2024-02-09 CN disclosed
CN-117500860-A Polyalkylene oxide polymers, their preparation and use 巴斯夫欧洲公司 2024-02-02 CN disclosed
US-5382661-A Useful in treating spinal trauma, head injury, subarachnoid hemorrhage THE UPJOHN COMPANY (US) 1995-01-17 US disclosed
US-5380840-A Treating spinal trauma, head injury, subarachnoid hemorrhage; reduced side effects THE UPJOHN COMPANY (US) 1995-01-10 US disclosed
US-5380839-A Antitumor agents, antisecretory agents, enzyme inhibitors or antiasthmatics THE UPJOHN COMPANY (US) 1995-01-10 US disclosed
US-5380841-A Steroids as antiinflammatory agents THE UPJOHN COMPANY (US) 1995-01-10 US disclosed
US-5322943-A As substituents on steroids are useful as pharmaceutical agents for treating a number of conditions THE UPJOHN COMPANY (US) 1994-06-21 US disclosed
US-5268477-A Containing a pyrrolidine or pyridine ring structure THE UPJOHN COMPANY (US) 1993-12-07 US disclosed
US-5099019-A Central nervous system steroid derivative drugs UPJOHN COMPANY (US) 1992-03-24 US disclosed
EP-0263213-A1 C20 Through C26 amino steroids THE UPJOHN COMPANY (US) 1988-04-13 EP disclosed
EP-0238545-A1 C 20? THROUGH C 26? AMINO STEROIDS. UPJOHN CO (US) 1987-09-30 EP disclosed
WO-1987001706-A2 C20 THROUGH C26 AMINO STEROIDS THE UPJOHN COMPANY (US) 1987-03-26 WO disclosed