SCHEMBL8546016

SCHEMBL8546016

Cn1c(=O)[nH]c2cc(C(=O)CCCl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ MAOB P27338 2/20 0.42
▸ HSD11B1 P28845 2/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HTR3A P46098 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PGR P06401 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ DAO P14920 1/20 0.37
▸ NLRP3 Q96P20 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
SCHEMBL4850384 0.91 MAOB (0.42) LMNAMAOBHSD11B1MAPTHTR3A
SCHEMBL21156819 0.83 LMNA (0.46) LMNAMAOBHSD11B1MAPTHTR3A
SCHEMBL4862180 0.80 MAOB (0.44) LMNAMAOBMAPTALDH1A1KDM4E
SCHEMBL29670373 0.79 ALDH1A1 (0.52) LMNAHSD11B1MAPTALDH1A1TP53
SCHEMBL21156821 0.79 LMNA (0.51) LMNAMAOBHSD11B1MAPTHTR3A
SCHEMBL1759317 0.79 ALDH1A1 (0.52) LMNAHSD11B1MAPTALDH1A1TP53
SCHEMBL25184324 0.78 LMNA (0.50) LMNAMAOBHSD11B1MAPTHTR3A
SCHEMBL31473248 0.78 KDM4E (0.57) LMNAMAOBHSD11B1MAPTHTR3A
Hydrochloric Acid SCHEMBL31473354 0.77 KDM4E (0.55) LMNAMAOBHSD11B1MAPTHTR3A
SCHEMBL16548565 0.75 POLB (0.48) LMNAHSD11B1MAPTHTR3AALDH1A1

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-0709384-B1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GMBH (DE) 1998-12-23 — — EP disclosed
US-5698553-A Benzylpiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-16 — — US disclosed
EP-0709384-A1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GmbH (DE) 1996-05-01 — — EP disclosed
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