SCHEMBL7907917

SCHEMBL7907917

N=C(N)N1CCN(CC(=O)Nc2cccc(C(=O)NCC(=O)O)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HSD17B10 Q99714 1/20 0.48
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.47
LMNA P02545 4/20 0.46
MAPT P10636 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
TSHR P16473 1/20 0.44
TMPRSS2 O15393 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL8380945 0.90 SMN1; SMN2 (0.50) KMT2AALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL7900164 0.90 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8384256 0.89 ALDH1A1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8381648 0.88 EPHX2 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8385319 0.88 NAMPT (0.47) MEN1KMT2APOLBCA1CA2
SCHEMBL8384343 0.87 POLB (0.48) MEN1KMT2ASMN1; SMN2POLBLMNA
SCHEMBL7907929 0.87 MEN1 (0.58) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7907920 0.85 ITGB3 (0.53) MEN1KMT2AALDH1A1TP53LMNA
SCHEMBL7913440 0.83 ALDH1A1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7913420 0.82 LMNA (0.49) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10

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