SCHEMBL7401042

SCHEMBL7401042

CC(=O)Nc1ccc(CC#CCN2CCC(Oc3ccccc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.46
CARM1 Q86X55 1/20 0.45
PRMT6 Q96LA8 1/20 0.45
FAAH O00519 1/20 0.45
NAMPT P43490 1/20 0.44
SCN9A Q15858 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
OPRM1 P35372 1/20 0.43
MCHR1 Q99705 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PRKAA2 P54646 1/20 0.42
CCR5 P51681 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL7406326 0.83 SMN1; SMN2 (0.56) FAAHSMN1; SMN2KDM4E
SCHEMBL7445090 0.83 HRH3 (0.53) CARM1PRMT6SMN1; SMN2
SCHEMBL7402097 0.81 CARM1 (0.45) BCHECARM1PRMT6MEN1KMT2A
SCHEMBL6963570 0.80 CARM1 (0.49) CARM1PRMT6NAMPTMEN1
SCHEMBL7404606 0.78 HRH3 (0.48) CARM1PRMT6SMN1; SMN2
SCHEMBL9236471 0.73 MCHR1 (0.50) NAMPTMEN1KMT2AOPRM1MCHR1
SCHEMBL16254562 0.72 L3MBTL1 (0.53) NAMPTMEN1KMT2ASMN1; SMN2
SCHEMBL7405750 0.70 HRH1 (0.42) MEN1KMT2AKDM4EALDH1A1
SCHEMBL5207643 0.69 HRH3 (0.66)
SCHEMBL8799241 0.69 SIGMAR1 (0.51)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869791-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-04-28 EP claimed
EP-0869791-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP claimed
WO-1997023214-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO claimed
EP-0869791-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-04-28 EP disclosed
EP-0869791-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023214-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed