SCHEMBL7913440

SCHEMBL7913440

COC(=O)CCNC(=O)c1cccc(NC(=O)CN2CCN(C(=N)N)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 3/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.46
MAPK10 P53779 1/20 0.45
TP53 P04637 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 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
SCHEMBL7913420 0.93 LMNA (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL7913458 0.92 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL8384256 0.90 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL7900164 0.89 MEN1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL7907940 0.88 NPC1 (0.45) MAPTGAA
SCHEMBL7913448 0.88 GAA (0.45) ALDH1A1KMT2AGAAPOLB
SCHEMBL7913438 0.87 GAA (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL8381648 0.86 EPHX2 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL8382230 0.83 CA12 (0.46) SMN1; SMN2MAPT
SCHEMBL7907917 0.83 MEN1 (0.52) ALDH1A1MEN1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5908843-A Piperazine compounds as fibrinogen inhibitors MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-06-01 US claimed
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