SCHEMBL9075109

SCHEMBL9075109

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.46
▸ OPRK1 P41145 2/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ P2RX7 Q99572 1/20 0.46
▸ SETD7 Q8WTS6 1/20 0.46
▸ IGF1R P08069 3/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SLC18A3 Q16572 1/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ CACNA1F O60840 1/20 0.42
▸ GMNN O75496 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ ABCB1 P08183 1/20 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
SCHEMBL9073468 0.88 SIGMAR1 (0.55) LMNACYP1A2HTR1AGAADRD2
SCHEMBL9075124 0.84 HTR1A (0.55) OPRM1OPRK1OPRD1SETD7MEN1
SCHEMBL9075810 0.84 KCNH2 (0.61) OPRM1OPRK1OPRD1P2RX7SETD7
SCHEMBL9075802 0.84 HTR1A (0.49) OPRM1OPRK1OPRD1P2RX7SETD7
SCHEMBL6452266 0.82 KCNH2 (0.51) OPRM1OPRK1OPRD1P2RX7SETD7
SCHEMBL11858351 0.81 OPRM1 (0.48) OPRM1OPRK1OPRD1P2RX7SETD7
SCHEMBL1968862 0.81 LMNA (0.64) OPRM1OPRK1OPRD1P2RX7SETD7
SCHEMBL11860229 0.80 KCNH2 (0.56) OPRM1OPRK1OPRD1P2RX7SETD7
SCHEMBL11863099 0.80 HRH1 (0.56) OPRM1OPRK1OPRD1P2RX7SETD7
SCHEMBL11868740 0.79 OPRM1 (0.42) OPRM1OPRK1OPRD1P2RX7SETD7

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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