SCHEMBL7844655

SCHEMBL7844655

O=C(NCCc1ccccn1)C(=O)C1CCCN1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
NPC1 O15118 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 2/20 0.45
FAP Q12884 1/20 0.45
FPR3 P25089 1/20 0.44
TSHR P16473 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.44
RAB9A P51151 1/20 0.44
DPP4 P27487 1/20 0.43
ALDH1A1 P00352 1/20 0.42
F2 P00734 1/20 0.42
JAK1 P23458 1/20 0.42

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
SCHEMBL7853086 0.81 CNR1 (0.47) CNR1NPC1SMN1; SMN2POLBFPR3
SCHEMBL7854400 0.77 FAP (0.47) FAPDPP4ALDH1A1
SCHEMBL7853026 0.75 ALDH1A1 (0.44) NPC1SMN1; SMN2FAPFPR3TSHR
SCHEMBL7855306 0.75 ALDH1A1 (0.58) CNR1SMN1; SMN2ALDH1A1
SCHEMBL6443274 0.73 CASP3 (0.48) NPC1SMN1; SMN2POLBTSHRRAB9A
SCHEMBL1219412 0.73 ALDH1A1 (0.52) NPC1SMN1; SMN2POLBFPR3TSHR
SCHEMBL7854391 0.73 NPC1 (0.47) NPC1SMN1; SMN2POLBFAPTSHR
SCHEMBL11666172 0.73 CNR1 (0.67) CNR1NPC1SMN1; SMN2POLBTSHR
SCHEMBL21696581 0.69 POLB (0.56) NPC1POLBALDH1A1F2
SCHEMBL7469565 0.69 ALDH1A1 (0.52) NPC1SMN1; SMN2POLBDPP4ALDH1A1

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
EP-0709373-B1 PYRROLIDINE DERIVATIVE ZAIDAN HOJIN BISEIBUTSU (JP) 2001-10-17 EP disclosed
US-5965556-A KETO-ACID AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND METHODS FOR INHIBITING THE ACTIVITY OF SERINE PROTEASE OR THIOL PROTEASE BY ADMINISTERING THE DERIVATIVE TO A MAMMAL; ALZHEIMER'S DISEASE ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) 1999-10-12 US disclosed
US-5756763-A ENZYME INHIBITOR ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYUKAI (JP) 1998-05-26 US disclosed
EP-0709373-A1 NOVEL PYRROLIDINE DERIVATIVE ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1996-05-01 EP disclosed