SCHEMBL12720554

SCHEMBL12720554

CCc1ccc(C2CC(c3nc(-c4cccc(OC)c4)co3)CN(C(=O)N3CCOCC3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2R P25116 5/20 0.53
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DGAT2 Q96PD7 1/20 0.39
PLAUR Q03405 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
AVPR1B P47901 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GRM5 P41594 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL12720266 0.92 F2R (0.49) F2R
SCHEMBL12720061 0.90 F2R (0.51) F2RRAB9ANPC1GRM5KMT2A
SCHEMBL12720549 0.89 F2R (0.57) F2RRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12720557 0.87 F2R (0.48) F2RUSP2
SCHEMBL640480 0.86 RAB9A (0.57) F2RRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12720254 0.84 F2R (0.53) F2RSMN1; SMN2USP2HSD17B10KDM4E
SCHEMBL12720548 0.84 F2R (0.53) F2RRAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL12720088 0.82 F2R (0.54) F2RRAB9ANPC1SMN1; SMN2GRM5
SCHEMBL12720294 0.81 F2R (0.53) F2RRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL12720568 0.81 GRM5 (0.47) F2RRAB9ANPC1SMN1; SMN2AVPR1B

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
EP-2227466-B1 HETEROARYL-SUBSTITUTED PIPERIDINES BAYER SCHERING PHARMA AG (DE) 2011-04-20 EP disclosed