SCHEMBL9448312

SCHEMBL9448312

Fc1ccc(CC2NCC3c4ccccc4CCC23)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 2/20 0.42
▸ HTR6 P50406 1/20 0.41
▸ SLC22A1 O15245 1/20 0.39
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ CYP11B2 P19099 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ PDPK1 O15530 1/20 0.34

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
SCHEMBL9448104 0.91 GRM7 (0.42) PRCPHTR6OPRM1OPRD1OPRK1
SCHEMBL9447918 0.89 SLC22A1 (0.49) PRCPHTR6SLC22A1CYP11B2SIGMAR1
SCHEMBL9447915 0.86 STS (0.38) PRCPSLC22A1OPRM1CYP11B2HTR1A
SCHEMBL9447922 0.86 STS (0.38) PRCPSLC22A1OPRM1CYP11B2HTR1A
Hydrochloric Acid SCHEMBL9448069 0.85 STS (0.38) PRCPSLC22A1OPRM1HTR1ASLC6A4
Hydrochloric Acid SCHEMBL9448076 0.85 STS (0.38) PRCPSLC22A1OPRM1HTR1ASLC6A4
SCHEMBL9448151 0.81 SRD5A1 (0.40) HTR2AHTR2CHTR2B
SCHEMBL9448224 0.79 PRCP (0.36) PRCPHTR6SLC22A1OPRM1OPRK1
SCHEMBL9447997 0.79 PRCP (0.36) PRCPHTR6SLC22A1OPRM1OPRK1
SCHEMBL9448240 0.79 FADS1 (0.41) PRCPSLC22A1OPRM1OPRD1OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5248677-A Nervous system disorders or antidepressants ABBOTT LABORATORIES (US) 1993-09-28 — — US disclosed
US-5180733-A Antidepressants or nervous systen disorders ABBOTT LABORATORIES (US) 1993-01-19 — — US disclosed
EP-0461353-A1 Biogenic amine uptake inhibitors ABBOTT LABORATORIES (US) 1991-12-18 — — EP disclosed
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