SCHEMBL8911057

SCHEMBL8911057

Fc1ccc(-c2ccc(C(CCCCl)=C3CCCCN3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.33
HTR2B P41595 1/20 0.31
MCHR1 Q99705 1/20 0.31
BCL2L1 Q07817 1/20 0.31
BAD Q92934 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL8910380 0.88 NPC1 (0.33) ACHEMCHR1NPC1RAB9A
SCHEMBL8912125 0.84 HDAC1 (0.33)
SCHEMBL8910792 0.82 TAAR1 (0.39) MCHR1
SCHEMBL8912610 0.80 PDE4A (0.38) KDM4E
SCHEMBL8910431 0.73 ESR2 (0.35) NPC1RAB9A
SCHEMBL8912193 0.72 PLAU (0.35) KDM4ENPC1RAB9A
SCHEMBL7224610 0.71 KDM4E (0.40) ACHEKDM4ENPC1RAB9A
SCHEMBL7328025 0.66 RAB9A (0.47) ACHEHTR2BKDM4ENPC1RAB9A
SCHEMBL7496643 0.66 RAB9A (0.47) ACHEHTR2BKDM4ENPC1RAB9A
SCHEMBL6614159 0.62 NPC1 (0.67) BCL2L1BADKDM4ENPC1RAB9A

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-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed