SCHEMBL8967844

SCHEMBL8967844

CNCC[C@@H]1CCCN1Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.46
SPHK1 Q9NYA1 2/20 0.46
CARM1 Q86X55 2/20 0.46
PRMT6 Q96LA8 2/20 0.46
CCR2 P41597 2/20 0.46
VEGFA P15692 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
OPRD1 P41143 1/20 0.45
FAAH O00519 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL21538565 0.91 CARM1 (0.47) CARM1PRMT6
SCHEMBL11462791 0.85 CCR2 (0.49) SPHK2SPHK1CCR2
SCHEMBL8330331 0.82 SPHK2 (0.45) SPHK2SPHK1CARM1PRMT6
SCHEMBL11199979 0.81 SPHK2 (0.50) SPHK2SPHK1VEGFAEGLN1FAAH
SCHEMBL7454601 0.81 OPRD1 (0.52) CCR2OPRD1
SCHEMBL30150926 0.81 SPHK2 (0.54) SPHK2SPHK1OPRD1
SCHEMBL24200095 0.80 SPHK2 (0.49) SPHK2SPHK1VEGFAEGLN1OPRD1
SCHEMBL16416519 0.80 VEGFA (0.64) SPHK2SPHK1VEGFAEGLN1
SCHEMBL14395220 0.80 MAPK1 (0.54) SPHK2SPHK1OPRD1FAAH
SCHEMBL11990426 0.80 MAPK1 (0.54) SPHK2SPHK1OPRD1FAAH

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-0697015-A1 OPTICALLY ACTIVE 3-(1-(ALKYLAMINO))ALKYL PYRROLIDINES PHARMACIA & UPJOHN COMPANY (US) 1996-02-21 EP disclosed
WO-1994026708-A1 OPTICALLY ACTIVE 3-(1-(ALKYLAMINO))ALKYL PYRROLIDINES THE UPJOHN COMPANY (US) 1994-11-24 WO disclosed