SCHEMBL7054929

SCHEMBL7054929

c1ccc(C(C2CCCC2)N2CCCCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.63
OPRD1 P41143 2/20 0.63
OPRK1 P41145 2/20 0.63
OPRL1 P41146 2/20 0.63
CYP1A2 P05177 5/20 0.55
CYP3A4 P08684 5/20 0.55
CYP2D6 P10635 5/20 0.55
CYP2C19 P33261 5/20 0.55
CYP2C9 P11712 4/20 0.55
KCNA5 P22460 4/20 0.55
KCNH2 Q12809 4/20 0.55
KCNE1 P15382 1/20 0.55
TSHR P16473 2/20 0.51
IDO1 P14902 2/20 0.47
GAA P10253 1/20 0.46
CYP17A1 P05093 1/20 0.46
CACNA2D1 P54289 2/20 0.45
CACNA1B Q00975 2/20 0.45
CACNB1 Q02641 2/20 0.45
L3MBTL3 Q96JM7 1/20 0.45

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
SCHEMBL492900 0.86 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1CYP1A2
SCHEMBL12508362 0.86 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1CYP3A4
SCHEMBL8124509 0.86 OPRD1 (0.57) OPRM1OPRD1OPRK1OPRL1KCNH2
SCHEMBL1111708 0.86 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1CYP1A2
SCHEMBL644900 0.85 OPRM1 (0.49) OPRM1OPRD1OPRK1OPRL1CYP1A2
SCHEMBL643619 0.84 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1CYP1A2
SCHEMBL493456 0.84 OPRM1 (0.51) OPRM1OPRD1OPRK1OPRL1CYP1A2
SCHEMBL643012 0.83 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1CYP1A2
SCHEMBL643066 0.82 OPRM1 (0.50) OPRM1OPRD1OPRK1OPRL1CYP1A2
SCHEMBL28554103 0.82 OPRM1 (0.57) OPRM1OPRD1OPRK1OPRL1TSHR

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-1409402-A2 ZEOLITE SSZ-59 Chevron USA, Inc. (US) 2004-04-21 EP disclosed
WO-2003006364-A2 ZEOLITE SSZ-59 CHEVRON U.S.A. INC. (US) 2003-01-23 WO disclosed