SCHEMBL7681680

SCHEMBL7681680

Cc1cc(C)c(-c2cccc3c(Oc4ccccc4)cc(C)nc23)c(C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 10/20 0.53
KDM4E B2RXH2 2/20 0.41
ADORA1 P30542 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
BRAF P15056 1/20 0.36
MAPK14 Q16539 1/20 0.36
HPGD P15428 2/20 0.36
CYP2C9 P11712 1/20 0.36
ATM Q13315 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
SCHEMBL5600092 0.78 CRHR1 (0.57) CRHR1
SCHEMBL6303205 0.77 CRHR1 (0.48) CRHR1KDM4EMEN1KMT2AMAPT
SCHEMBL9359489 0.77 GFER (0.52) CRHR1KDM4EADORA1MEN1KMT2A
SCHEMBL7684275 0.77 MAPT (0.53) CRHR1KDM4EADORA1MEN1KMT2A
SCHEMBL6025654 0.75 CRHR1 (0.61) CRHR1KDM4EL3MBTL1MAPTLMNA
SCHEMBL6093075 0.75 CRHR1 (0.60) CRHR1KDM4EMEN1KMT2AMAPT
SCHEMBL6306407 0.75 CRHR1 (0.60) CRHR1KDM4EMEN1KMT2ACYP1A2
SCHEMBL5599813 0.74 CRHR1 (0.53) CRHR1KDM4E
SCHEMBL7532440 0.73 CYP1A2 (0.56) KDM4EADORA1MEN1KMT2AHTT
SCHEMBL6305307 0.72 CRHR1 (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350750-B1 TREATMENT OF STRESS-RELATED DISORDERS; ARYLATION WITH BORONIC ACID DERIVATIVE, AMINATION DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 2002-02-26 US disclosed
EP-0966442-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1999-12-29 EP disclosed
WO-1999012908-A1 QUINOLINE AND QUINAZOLINE DERIVATIVES HAVING CORTICOTROPIN RELEASING FACTOR (CRF) ANTAGONIST ACTIVITY DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1999-03-18 WO disclosed