SCHEMBL8380945

SCHEMBL8380945

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
PKM P14618 1/20 0.48
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
POLB P06746 3/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX2 P34913 1/20 0.45
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45

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
SCHEMBL7909446 0.91 SMN1; SMN2 (0.49) SMN1; SMN2PKMALDH1A1L3MBTL1POLB
SCHEMBL7907917 0.90 MEN1 (0.52) SMN1; SMN2ALDH1A1POLBMAPTLMNA
SCHEMBL8381940 0.89 SMN1; SMN2 (0.52) SMN1; SMN2PKMALDH1A1L3MBTL1POLB
SCHEMBL8381010 0.87 SMN1; SMN2 (0.55) SMN1; SMN2PKMALDH1A1L3MBTL1POLB
SCHEMBL8385319 0.86 NAMPT (0.47) L3MBTL1POLBKMT2AEPHX2
SCHEMBL8384343 0.85 POLB (0.48) SMN1; SMN2POLBMAPTLMNAKMT2A
SCHEMBL7913458 0.85 SMN1; SMN2 (0.52) SMN1; SMN2PKMALDH1A1L3MBTL1POLB
SCHEMBL8381170 0.83 CHRM3 (0.49) SMN1; SMN2ALDH1A1L3MBTL1POLBMAPT
SCHEMBL7900164 0.82 MEN1 (0.50) SMN1; SMN2ALDH1A1POLBMAPTLMNA
SCHEMBL8381648 0.80 EPHX2 (0.49) SMN1; SMN2ALDH1A1POLBMAPTLMNA

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 1 patent. 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 disclosed