SCHEMBL5339652

SCHEMBL5339652

Cc1cc(C)c(-c2cccc3c(CC[CH]Cc4ccccc4)n(C)nc23)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.40
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
CASR P41180 1/20 0.32
HRH4 Q9H3N8 1/20 0.30

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
SCHEMBL6025193 0.79 CRHR1 (0.42) CRHR1HRH4
SCHEMBL4702271 0.79 CRHR1 (0.39) CRHR1
Hydrochloric Acid SCHEMBL6185923 0.74 CRHR1 (0.43) CRHR1
Trifluoroacetic Acid SCHEMBL4703706 0.73 MEN1 (0.40) CRHR1
SCHEMBL3364082 0.72 CRHR1 (0.45) CRHR1MAPTHRH4
SCHEMBL3362302 0.72 CRHR1 (0.41) CRHR1HRH4
Hydrochloric Acid SCHEMBL3365007 0.71 CRHR1 (0.44) CRHR1MAPTHRH4
SCHEMBL4702330 0.71 CRHR1 (0.41) CRHR1MAPT
SCHEMBL4698855 0.71 CRHR1 (0.44) CRHR1
SCHEMBL3366236 0.70 CRHR1 (0.44) CRHR1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7214699-B2 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-08 US disclosed