SCHEMBL8013302

SCHEMBL8013302

O=C(Nc1nccs1)C1CCCCC1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.67
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
TSHR P16473 2/20 0.66
KDM4E B2RXH2 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.64
MAPK1 P28482 1/20 0.64
EPHX2 P34913 1/20 0.61
POLB P06746 2/20 0.61
HTT P42858 2/20 0.59
ALOX15 P16050 1/20 0.57
RAB9A P51151 1/20 0.55
PKM P14618 1/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54

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
SCHEMBL17404960 0.98 NPC1 (0.68) NPC1MEN1KMT2ATSHRKDM4E
SCHEMBL2654124 0.91 NPC1 (0.77) NPC1MEN1KMT2ATSHRKDM4E
SCHEMBL15199106 0.84 NPC1 (0.72) NPC1MEN1KMT2ATSHRKDM4E
SCHEMBL18394945 0.84 NPC1 (0.63) NPC1MEN1KMT2ATSHRKDM4E
SCHEMBL4293208 0.84 SMN1; SMN2 (0.65) NPC1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL31078433 0.82 NPC1 (0.54) NPC1MEN1KMT2ATSHRKDM4E
SCHEMBL25217762 0.81 NPC1 (0.64) NPC1MEN1KMT2AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL1761032 0.81 NPC1 (0.53) NPC1MEN1KMT2ATSHRKDM4E
SCHEMBL10270561 0.80 NPC1 (0.67) NPC1MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL21222595 0.80 NPC1 (0.58) NPC1MEN1KMT2ATSHRKDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1098098-A Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1995-02-01 CN claimed
CN-1084619-C Process for preparing medicine composition WYETH JOHN & BROTHER LTD (GB) 2002-05-15 CN disclosed
US-6127357-A N-((phenyl, benzodioxinyl or N-heteroarylpiperazinyl)alkyl)-N-(N-heteroaryl)substituted carboxamides JOHN WYETH & BROTHER, LTD. (GB) 2000-10-03 US disclosed
CN-1206589-A Process for preparing medicine composition WYETH JOHN & BROTHER LTD (GB) 1999-02-03 CN disclosed
CN-1098098-A Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1995-02-01 CN disclosed
EP-0512755-B1 Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1994-12-14 EP disclosed
EP-0512755-A2 Piperazine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1992-11-11 EP disclosed