SCHEMBL11313951

SCHEMBL11313951

COc1cccc(C2(C)CCCCCC2(C)N(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 14/20 0.47
▸ SLC6A2 P23975 12/20 0.47
▸ OPRM1 P35372 6/20 0.47
▸ SLC22A1 O15245 3/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ OPRK1 P41145 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDM1A O60341 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.44

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
SCHEMBL11320663 0.98 SLC6A4 (0.48) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
Hydrochloric Acid SCHEMBL11307266 0.94 KDM1A (0.47) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL11318030 0.82 SLC6A4 (0.43) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL11316977 0.82 SLC6A4 (0.52) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL5516837 0.81 SLC6A2 (0.52) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL8434812 0.81 SLC6A2 (0.52) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL11309618 0.79 SLC6A4 (0.49) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL11325596 0.79 OPRM1 (0.46) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL22538479 0.78 OPRM1 (0.54) SLC6A4SLC6A2OPRM1SLC22A1CHRM2
SCHEMBL11309697 0.78 SLC6A4 (0.46) SLC6A4SLC6A2OPRM1SLC22A1CHRM2

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
US-4287212-A USEFUL AS ANALGESICS AND DIURETICS AMERICAN HOECHST CORPORATION (US) 1981-09-01 — — US disclosed
Send feedback