SCHEMBL14830657

SCHEMBL14830657

NCCc1cccc(N2CCN(C(=O)O)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
HTR1A P08908 2/20 0.48
HTR7 P34969 2/20 0.48
HTR2A P28223 1/20 0.48
HTR6 P50406 1/20 0.48
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GRM5 P41594 2/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 4/20 0.46
LMNA P02545 3/20 0.46
USP2 O75604 2/20 0.46
MAPK1 P28482 1/20 0.46
AOC3 Q16853 1/20 0.44
POLB P06746 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
SCHEMBL27857403 0.88 HTR1A (0.50) ITGB3ITGA2BHTR1AHTR7HTR2A
SCHEMBL18586080 0.84 GRM5 (0.52) ITGB3ITGA2BHTR1AHTR7HTR2A
SCHEMBL21591697 0.83 TMEM97 (0.55) HTR1AHTR2ASMN1; SMN2NPC1RAB9A
SCHEMBL19212222 0.82 ME2 (0.50) ITGB3ITGA2BMAPTSMN1; SMN2NPC1
SCHEMBL29129953 0.81 GPR119 (0.54) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5790198 0.79 AGXT (0.66) HTR1AMAPTKMT2AALDH1A1MAPK1
SCHEMBL4014464 0.79 MAPT (0.49) ITGB3ITGA2BHTR1AHTR7HTR2A
SCHEMBL3119833 0.79 ADRA2C (0.59) HTR1AHTR7HTR2AHTR6MAPT
SCHEMBL28322328 0.78 AKR1C3 (0.54) ITGB3ITGA2BHTR1AHTR7HTR2A
SCHEMBL29939675 0.78 MAPT (0.50) HTR1AMAPTSMN1; SMN2NPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2847174-A1 PYRIMIDINONE CARBOXAMIDES AS INHIBITORS OF ENDOTHELIAL LIPASE Bristol-Myers Squibb Company (US) 2015-03-18 EP disclosed
EP-2760840-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE Bristol-Myers Squibb Company (US) 2014-08-06 EP disclosed
WO-2013151923-A1 PYRIMIDINONE CARBOXAMIDES AS INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-10 WO disclosed
WO-2013048942-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed