SCHEMBL9075124

SCHEMBL9075124

COc1ccc(C(O)CCCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.55
▸ SLC6A4 P31645 1/20 0.53
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ SETD7 Q8WTS6 1/20 0.46
▸ DRD2 P14416 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL11865937 0.85 OPRM1 (0.49) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL9073468 0.84 SIGMAR1 (0.55) HTR1ASLC6A4DRD2SIGMAR1
SCHEMBL9075109 0.84 OPRM1 (0.46) HTR1ASLC6A4MEN1KMT2AOPRM1
SCHEMBL9075810 0.84 KCNH2 (0.61) HTR1ASLC6A4MEN1KMT2AOPRM1
SCHEMBL11864111 0.83 HTR1A (0.47) HTR1ASLC6A4MEN1KMT2AOPRM1
SCHEMBL6452266 0.83 KCNH2 (0.51) HTR1ASLC6A4MEN1KMT2AOPRM1
SCHEMBL8316856 0.82 OPRM1 (0.52) HTR1ASLC6A4OPRM1OPRD1OPRK1
SCHEMBL9075802 0.81 HTR1A (0.49) HTR1AOPRM1OPRD1OPRK1SETD7
SCHEMBL11858351 0.81 OPRM1 (0.48) HTR1ASLC6A4MEN1KMT2AOPRM1
SCHEMBL1968862 0.80 LMNA (0.64) HTR1ASLC6A4MEN1KMT2AOPRM1

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 4 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
EP-0563134-A1 AGENTS FOR POTENTIATING THE EFFECTS OF ANTITUMOR AGENTS AND COMBATING MULTIPLE DRUG RESISTANCE. WELLCOME FOUND (GB) 1993-10-06 — — EP disclosed
WO-1992011034-A1 AGENTS FOR POTENTIATING THE EFFECTS OF ANTITUMOR AGENTS AND COMBATING MULTIPLE DRUG RESISTANCE THE WELLCOME FOUNDATION LIMITED (GB) 1992-07-09 — — WO disclosed
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