SCHEMBL7907929

SCHEMBL7907929

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 7/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 1/20 0.54
POLB P06746 2/20 0.53
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
LMNA P02545 3/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 3/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL8381010 0.88 SMN1; SMN2 (0.55) KMT2AALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL7907917 0.87 MEN1 (0.52) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7900164 0.85 MEN1 (0.50) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8386581 0.84 FAAH (0.44) MEN1KMT2AALDH1A1SMN1; SMN2POLB
SCHEMBL8381193 0.84 POLB (0.56) MEN1KMT2AALDH1A1POLBLMNA
SCHEMBL8381648 0.83 EPHX2 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7906618 0.83 HTT (0.49) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8384256 0.82 ALDH1A1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7907922 0.81 ALDH1A1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7913440 0.81 ALDH1A1 (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