SCHEMBL7822959

SCHEMBL7822959

O=C1CN(Cc2ccccc2)C(=O)[C@H](Cc2c[nH]c3ccccc23)N1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.75
HDAC8 Q9BY41 2/20 0.75
HDAC6 Q9UBN7 2/20 0.75
HDAC4 P56524 1/20 0.75
HDAC7 Q8WUI4 1/20 0.75
HDAC10 Q969S8 1/20 0.75
HDAC11 Q96DB2 1/20 0.75
HDAC9 Q9UKV0 1/20 0.75
HDAC5 Q9UQL6 1/20 0.75
TACR1 P25103 3/20 0.74
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.63
TNF P01375 1/20 0.58
OPRK1 P41145 2/20 0.57
TACR2 P21452 2/20 0.54
TP53 P04637 1/20 0.54
GLA P06280 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54

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
SCHEMBL4287307 1.00 HDAC1 (0.75) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL874098 0.81 OPRK1 (0.65) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL7468758 0.81 OPRK1 (0.65) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL874099 0.81 OPRK1 (0.65) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL9026182 0.81 KMT2A (0.58) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL8452072 0.81 HDAC6 (0.73) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL877776 0.81 HDAC6 (0.73) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL876552 0.81 HDAC6 (0.73) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL28359843 0.81 HDAC1 (0.59) HDAC1HDAC8HDAC6HDAC4HDAC7
SCHEMBL9026317 0.81 HDAC1 (0.59) HDAC1HDAC8HDAC6HDAC4HDAC7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655442-B1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 EP disclosed
US-5883098-A USED AS TACHYKININ ANTAGONISTS IN THE TREATMENT OF RESPIRATORY DISEASES, OPHTHALMIC DISEASES AND INFLAMMATORY DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-16 US disclosed
US-5670505-A TACHYKIKIN ANTAGONIST FOR RESPIRATORY DISEASES, OPHTHALMIC DISEASES AND ANTIINFLAMMATORY AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-23 US disclosed
EP-0655442-A1 Piperazine derivatives as Tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-05-31 EP disclosed