SCHEMBL7900115

SCHEMBL7900115

N=C(N)N1CCN(CC(=O)O)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.45
F2 P00734 1/20 0.43
CPN1 P15169 1/20 0.42
CPB2 Q96IY4 1/20 0.42
PKM P14618 2/20 0.40
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
MC4R P32245 1/20 0.38
MC5R P33032 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A9 P48067 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL7913433 0.93 GAA (0.50) MAPK1HSD17B10F2CPN1CPB2
SCHEMBL19146559 0.85 KDM4E (0.52) MAPK1HSD17B10F2CPN1CPB2
SCHEMBL8386026 0.83 ITGB3 (0.40) MAPK1HSD17B10CPN1CPB2PKM
SCHEMBL10826454 0.83 HSD17B10 (0.48) HSD17B10PKMITGB3ITGA2BGAA
Tetraxetan SCHEMBL21248095 0.82 HSD17B10 (0.56) HSD17B10PKMITGB3ITGA2BGAA
SCHEMBL8384455 0.79 PKM (0.45) MAPK1HSD17B10PKMITGB3ITGA2B
Tetraxetan SCHEMBL18018 0.79 HSD17B10 (0.64) MAPK1HSD17B10GAAALOX15TSHR
SCHEMBL321989 0.79 HSD17B10 (0.64) MAPK1HSD17B10GAAALOX15TSHR
SCHEMBL173508 0.79 HSD17B10 (0.64) MAPK1HSD17B10GAAALOX15TSHR
SCHEMBL6848102 0.79 HSD17B10 (0.64) MAPK1HSD17B10GAAALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0608759-B1 Piperazine derivatives MERCK PATENT GMBH (DE) 2001-08-22 EP disclosed
US-5908843-A Piperazine compounds as fibrinogen inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-06-01 US disclosed
EP-0608759-A2 Piperazinderivatives MERCK PATENT GmbH (DE) 1994-08-03 EP disclosed