SCHEMBL4700237

SCHEMBL4700237

CCC=C(CCC)c1c2cccc(-c3ccc(OC)cc3OC)c2nn1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.46
GABRG2 P18507 5/20 0.38
GABRB3 P28472 5/20 0.38
GABRA2 P47869 5/20 0.38
GABRA1 P14867 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
TP53 P04637 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2E1 P05181 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2A6 P11509 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP4B1 P13584 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP3A5 P20815 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
SCHEMBL4700236 1.00 CRHR1 (0.46) CRHR1GABRG2GABRB3GABRA2GABRA1
Hydrochloric Acid SCHEMBL4702917 0.99 CRHR1 (0.46) CRHR1GABRG2GABRB3GABRA2GABRA1
Hydrochloric Acid SCHEMBL4698197 0.99 CRHR1 (0.46) CRHR1GABRG2GABRB3GABRA2GABRA1
SCHEMBL4700622 0.80 CRHR1 (0.33) CRHR1
SCHEMBL4700618 0.80 CRHR1 (0.33) CRHR1
SCHEMBL3367525 0.80 KMT2A (0.48) CRHR1GABRG2GABRB3GABRA2CYP1A1
Hydrochloric Acid SCHEMBL4698818 0.79 CRHR1 (0.32) CRHR1
Hydrochloric Acid SCHEMBL4702286 0.79 CRHR1 (0.32) CRHR1
SCHEMBL3364849 0.79 CRHR1 (0.43) CRHR1GABRG2GABRB3GABRA2GABRA1
SCHEMBL3363713 0.78 CRHR1 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP claimed
US-7214699-B2 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-08 US disclosed