SCHEMBL8911535

SCHEMBL8911535

c1ccc(C(=C2CCCCN2)c2cccc3ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
CDC25B P30305 1/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 3/20 0.36
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL5764963 0.82 NPC1 (0.54) HPGDSMN1; SMN2NPC1RAB9AOPRM1
Hydrochloric Acid SCHEMBL10749720 0.81 NPC1 (0.53) HPGDSMN1; SMN2NPC1RAB9AOPRM1
SCHEMBL27674378 0.76 OPRM1 (0.51) HPGDSMN1; SMN2NPC1RAB9AOPRM1
SCHEMBL8316811 0.76 OPRM1 (0.65) HPGDOPRM1OPRD1OPRK1NR4A1
SCHEMBL7328025 0.74 RAB9A (0.47) HPGDSMN1; SMN2NPC1RAB9AOPRD1
SCHEMBL7496643 0.74 RAB9A (0.47) HPGDSMN1; SMN2NPC1RAB9AOPRD1
SCHEMBL8366194 0.71 HPGD (0.44) HPGDSMN1; SMN2NPC1RAB9AOPRM1
SCHEMBL5766517 0.69 RAB9A (0.51) HPGDSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL5766519 0.69 RAB9A (0.51) HPGDSMN1; SMN2NPC1RAB9AMAPT
SCHEMBL1144315 0.67 RAB9A (0.56) HPGDSMN1; SMN2NPC1RAB9AMAPT

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