SCHEMBL7721079

SCHEMBL7721079

COc1ccc2nccc(CCC[C@@H]3CCN(CCCSc4ccc(F)cc4)C[C@@H]3CCC(=O)O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.43
CCR3 P51677 4/20 0.42
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL7721081 1.00 KCNH2 (0.43) KCNH2CCR3MTNR1AMTNR1B
SCHEMBL7728104 0.96 KCNH2 (0.46) KCNH2MTNR1AMTNR1B
SCHEMBL7728100 0.96 KCNH2 (0.46) KCNH2MTNR1AMTNR1B
SCHEMBL7732975 0.96 KCNH2 (0.45) KCNH2MTNR1AMTNR1B
SCHEMBL7732972 0.96 KCNH2 (0.45) KCNH2MTNR1AMTNR1B
SCHEMBL7725353 0.94 KCNH2 (0.43) KCNH2CCR3MTNR1AMTNR1B
SCHEMBL7726838 0.94 KCNH2 (0.43) KCNH2MTNR1AMTNR1B
SCHEMBL7726835 0.94 KCNH2 (0.43) KCNH2MTNR1AMTNR1B
SCHEMBL7725745 0.93 KCNH2 (0.44) KCNH2MTNR1AMTNR1B
SCHEMBL7725742 0.93 KCNH2 (0.44) KCNH2MTNR1AMTNR1B

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-6403610-B1 ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-06-11 US disclosed