SCHEMBL9075802

SCHEMBL9075802

OC(CCCN1CCC(=C(c2ccccc2)c2ccccc2)CC1)c1ccc(N2CCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.49
▸ OPRD1 P41143 2/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ P2RX7 Q99572 1/20 0.43
▸ SETD7 Q8WTS6 1/20 0.43
▸ DRD2 P14416 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ SIGMAR1 Q99720 2/20 0.42

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
SCHEMBL9075109 0.84 OPRM1 (0.46) HTR1AOPRD1OPRK1OPRM1P2RX7
SCHEMBL9073468 0.84 SIGMAR1 (0.55) HTR1ADRD2DRD3SIGMAR1
SCHEMBL9075810 0.81 KCNH2 (0.61) HTR1AOPRD1OPRK1OPRM1P2RX7
SCHEMBL9075124 0.81 HTR1A (0.55) HTR1AOPRD1OPRK1OPRM1SETD7
SCHEMBL6452266 0.79 KCNH2 (0.51) HTR1AOPRD1OPRK1OPRM1P2RX7
SCHEMBL11868740 0.79 OPRM1 (0.42) HTR1AOPRD1OPRK1OPRM1P2RX7
SCHEMBL11858351 0.78 OPRM1 (0.48) HTR1AOPRD1OPRK1OPRM1P2RX7
SCHEMBL1968862 0.78 LMNA (0.64) HTR1AOPRD1OPRK1OPRM1P2RX7
SCHEMBL11859416 0.78 OPRM1 (0.41) HTR1AOPRD1OPRK1OPRM1P2RX7
SCHEMBL11860229 0.77 KCNH2 (0.56) HTR1AOPRD1OPRK1OPRM1P2RX7

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-0563134-B1 AGENTS FOR POTENTIATING THE EFFECTS OF ANTITUMOR AGENTS AND COMBATING MULTIPLE DRUG RESISTANCE WELLCOME FOUND (GB) 1996-06-19 — — EP disclosed
US-5416091-A Agents for potentiating the effects of antitumor agents and combating multiple drug resistance BURROUGHS WELLCOME CO. (US) 1995-05-16 — — US disclosed
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