SCHEMBL8960154

SCHEMBL8960154

OC1(c2ccc(C(F)(F)F)cc2)CCCN(Cc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.57
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 2/20 0.52
GAA P10253 1/20 0.52
USP2 O75604 2/20 0.52
CYP3A4 P08684 2/20 0.52
CCR3 P51677 1/20 0.50
ALDH1A1 P00352 1/20 0.50
OPRM1 P35372 2/20 0.49
CYP2D6 P10635 2/20 0.48
CYP1A2 P05177 1/20 0.48
TSHR P16473 1/20 0.48
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
TACR1 P25103 2/20 0.47
SLC6A4 P31645 2/20 0.47
RORC P51449 1/20 0.47

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
SCHEMBL10954756 0.87 OPRL1 (0.64) OPRL1KDM4EKMT2AGAAUSP2
SCHEMBL5242779 0.87 OPRL1 (0.67) OPRL1KDM4EKMT2APOLBCYP3A4
Hydrochloric Acid SCHEMBL11397626 0.86 OPRL1 (0.63) OPRL1KDM4EKMT2APOLBGAA
SCHEMBL8751528 0.86 KDM4E (0.56) OPRL1KDM4EKMT2APOLBCCR3
Hydrochloric Acid SCHEMBL10750648 0.85 POLB (0.68) OPRL1KDM4EKMT2APOLBCYP3A4
SCHEMBL4778246 0.84 OPRL1 (0.78) OPRL1POLBGAACCR3OPRM1
SCHEMBL19330902 0.83 KDM4E (0.56) OPRL1KDM4EKMT2APOLBCYP3A4
SCHEMBL8751541 0.83 KDM4E (0.56) OPRL1KDM4EKMT2APOLBGAA
SCHEMBL11450342 0.82 OPRM1 (0.61) OPRL1KDM4EKMT2AUSP2CYP3A4
Hydrochloric Acid SCHEMBL11437813 0.82 OPRM1 (0.60) OPRL1KDM4EKMT2APOLBUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0691956-A1 3-PHENYL-1,2,5,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEDATIVES LABORATOIRE L. LAFON (FR) 1996-01-17 EP disclosed
WO-1994022827-A1 3-PHENYL-1,2,5,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEDATIVES LABORATOIRE L. LAFON (FR) 1994-10-13 WO disclosed