SCHEMBL6945355

SCHEMBL6945355

OC1(c2cccc(C(F)(F)F)c2)CCN(CCc2ccc3ncccc3c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 8/20 0.60
OPRM1 P35372 6/20 0.53
OPRD1 P41143 1/20 0.53
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
OPRK1 P41145 2/20 0.49
ABCB11 O95342 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
PKM P14618 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
THPO P40225 1/20 0.48
MTOR P42345 1/20 0.48
EBP Q15125 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
KDM4E B2RXH2 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL6593390 0.83 OPRL1 (0.53) OPRL1OPRM1OPRD1OPRK1ABCB11
SCHEMBL5151712 0.82 OPRL1 (0.56) OPRL1OPRM1OPRD1LMNAHTT
SCHEMBL27458564 0.81 HRH3 (0.49) SMN1; SMN2KCNH2HRH3
SCHEMBL3454626 0.80 OPRL1 (0.65) OPRL1OPRM1OPRD1LMNAHTT
SCHEMBL12642624 0.80 OPRL1 (0.67) OPRL1OPRM1OPRD1LMNAHTT
SCHEMBL6190691 0.80 OPRL1 (0.58) OPRL1OPRM1OPRD1LMNAHTT
SCHEMBL4587366 0.78 DRD2 (0.56) HTTCYP3A4CYP2D6TSHRMAPK1
SCHEMBL1887125 0.77 LTA4H (0.61) OPRL1OPRM1OPRD1LMNAHTT
SCHEMBL6604382 0.75 OPRL1 (0.46) OPRL1OPRM1OPRD1OPRK1ABCB11
SCHEMBL6598869 0.74 PPARG (0.47) SIGMAR1KDM4EDRD4DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6509351-B1 A method of inhibiting TNF- alpha in a patient in need thereof which comprises administering to said patient an effective amount of a compound for inflamation SANOFI-SYNTELABO (FR) 2003-01-21 US disclosed