SCHEMBL4702341

SCHEMBL4702341

Cc1cc(C)c(-c2cccc3c(CCCNCC4CC4)n(C)nc23)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.40
MCL1 Q07820 10/20 0.35
HRH4 Q9H3N8 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL4702271 0.83 CRHR1 (0.39) CRHR1
SCHEMBL4698855 0.83 CRHR1 (0.44) CRHR1LMNA
Hydrochloric Acid SCHEMBL4697950 0.82 CRHR1 (0.44) CRHR1LMNA
SCHEMBL4700572 0.80 CRHR1 (0.41) CRHR1
SCHEMBL4757562 0.80 SMN1; SMN2 (0.39) CRHR1LMNATP53
SCHEMBL4701270 0.80 CHRM2 (0.39) CRHR1HRH4LMNA
SCHEMBL4702626 0.79 HEXA (0.43) TP53
SCHEMBL6025193 0.79 CRHR1 (0.42) CRHR1HRH4
SCHEMBL4700546 0.79 CRHR1 (0.43) CRHR1MCL1
SCHEMBL4702330 0.79 CRHR1 (0.41) CRHR1TP53

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
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP claimed