SCHEMBL8758822

SCHEMBL8758822

Cc1cc2ccccc2n1C1CCC(CCN)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 6/20 0.41
▸ OPRD1 P41143 6/20 0.41
▸ OPRK1 P41145 6/20 0.41
▸ OPRL1 P41146 6/20 0.41
▸ TSHR P16473 2/20 0.35
▸ NPY5R Q15761 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL16103839 0.80 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL27739489 0.72 TP53 (0.46) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL13926744 0.71 HTR4 (0.40) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL8531640 0.70 HTR2A (0.43) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL28754260 0.69 TSHR (0.33) OPRM1OPRD1OPRK1OPRL1TSHR
SCHEMBL8531462 0.68 KDM4E (0.48) OPRM1OPRK1OPRL1TSHRCYP3A4
SCHEMBL16103840 0.66 TSHR (0.51) TSHRNPY5RMEN1KMT2ARPS6KB1
SCHEMBL31230201 0.66 TSHR (0.51) TSHRNPY5RMEN1KMT2ARPS6KB1
SCHEMBL27781705 0.66 HTR6 (0.43) OPRM1OPRD1OPRK1OPRL1
SCHEMBL7296675 0.66 OPRM1 (0.63) OPRM1OPRD1OPRK1OPRL1CHRM2

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
EP-0623138-B1 NEW ADENOSINE DERIVATIVES, PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM UNION PHARMA SCIENT APPL (FR) 1997-05-21 — — EP disclosed
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