SCHEMBL9537217

SCHEMBL9537217

O=C(C1Cc2ccccc2N1C(=O)OCc1ccccc1)N1CCCC1CO

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.48
SPHK2 Q9NRA0 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
CTRB1 P17538 1/20 0.42

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
SCHEMBL8634979 0.86 PREP (0.48) PREPNPC1RAB9AL3MBTL1
SCHEMBL10749955 0.83 PREP (0.67) PREPSPHK2L3MBTL1CTRB1
SCHEMBL10657139 0.83 PREP (0.67) PREPSPHK2L3MBTL1CTRB1
SCHEMBL8639478 0.81 PREP (0.65) PREPL3MBTL1CTRB1
SCHEMBL5763420 0.80 NPC1 (0.53) NPC1RAB9AL3MBTL1CTRB1
SCHEMBL809494 0.80 SPHK2 (0.58) PREPSPHK2NPC1RAB9AL3MBTL1
SCHEMBL4602602 0.80 SPHK2 (0.58) PREPSPHK2NPC1RAB9AL3MBTL1
SCHEMBL5267939 0.80 SPHK2 (0.58) PREPSPHK2NPC1RAB9AL3MBTL1
SCHEMBL24582713 0.79 NPC1 (0.54) NPC1RAB9AL3MBTL1
SCHEMBL3208272 0.79 NPC1 (0.54) NPC1RAB9AL3MBTL1

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
EP-0536163-A1 AROMATIC PYRROLIDINE AND THIAZOLIDINE AMIDES PFIZER INC. (US) 1993-04-14 EP disclosed
WO-1991018891-A1 AROMATIC PYRROLIDINE AND THIAZOLIDINE AMIDES PFIZER INC. (US) 1991-12-12 WO disclosed