SCHEMBL5046709

SCHEMBL5046709

CCCN(CCCC#N)c1c2c(nn1C)N(c1c(C)cc(C)cc1C)CCC2

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 19/20 0.34

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
SCHEMBL5522193 0.90 CRHR1 (0.39) CRHR1
SCHEMBL5047507 0.90 CRHR1 (0.38) CRHR1
SCHEMBL5039212 0.87 CRHR1 (0.36) CRHR1
SCHEMBL5044223 0.85 CRHR1 (0.37) CRHR1
SCHEMBL5776895 0.83 CRHR1 (0.36) CRHR1
SCHEMBL14415804 0.83 CRHR1 (0.38) CRHR1
SCHEMBL5518403 0.83 CRHR1 (0.39) CRHR1
SCHEMBL14415782 0.82 CRHR1 (0.35) CRHR1
SCHEMBL5775051 0.81 CRHR1 (0.41) CRHR1
SCHEMBL5039215 0.81 CRHR1 (0.35) 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
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed
US-7432283-B2 Heterocyclic GABAA subtype selective receptor modulators ROCHE PALO ALTO LLC (US) 2008-10-07 US disclosed