SCHEMBL7937131

SCHEMBL7937131

CCC(CO)Nc1cc(C)nc2c1c(C)nn2-c1c(C)cc(C)cc1C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 14/20 0.50
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5600335 0.87 CRHR1 (0.52) CRHR1
SCHEMBL7360292 0.82 CRHR1 (0.70) CRHR1
Hydrochloric Acid SCHEMBL8127656 0.81 CRHR1 (0.69) CRHR1
SCHEMBL5620424 0.75 CRHR1 (0.47) CRHR1
Hydrochloric Acid SCHEMBL7953091 0.74 CRHR1 (0.63) CRHR1
SCHEMBL5611294 0.72 CRHR1 (0.44) CRHR1
SCHEMBL5600359 0.72 CRHR1 (0.67) CRHR1
SCHEMBL7935049 0.71 CRHR1 (0.47) CRHR1TP53
SCHEMBL7928892 0.70 KDM4E (0.49) CRHR1TP53KDM4EALDH1A1HPGD
SCHEMBL5844686 0.70 CRHR1 (0.86) CRHR1

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
US-6248753-B1 CORTICOTROPIN-RELEASING FACTOR (CRF) ANTAGONISTS PFIZER INC 2001-06-19 US disclosed
EP-0765327-B1 PYRAZOLO AND PYRROLOPYRIDINES PFIZER (US) 1999-07-21 EP disclosed
EP-0765327-A1 PYRAZOLO AND PYRROLOPYRIDINES PFIZER INC. (US) 1997-04-02 EP disclosed
WO-1995034563-A1 PYRAZOLO AND PYRROLOPYRIDINES PFIZER INC. (US) 1995-12-21 WO disclosed