SCHEMBL9447915

SCHEMBL9447915

Fc1cccc(CC2NCC3c4ccccc4CCC23)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 1/20 0.38
▸ PRCP P42785 2/20 0.36
▸ SLC22A1 O15245 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ TAS1R2 Q8TE23 1/20 0.34
▸ PIN1 Q13526 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ CYP11B2 P19099 1/20 0.33

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
SCHEMBL9447922 1.00 STS (0.38) STSPRCPSLC22A1OPRM1TAS1R3
Hydrochloric Acid SCHEMBL9448076 0.99 STS (0.38) STSPRCPSLC22A1OPRM1TAS1R3
Hydrochloric Acid SCHEMBL9448069 0.99 STS (0.38) STSPRCPSLC22A1OPRM1TAS1R3
SCHEMBL9448312 0.86 PRCP (0.42) PRCPSLC22A1OPRM1SIGMAR1HTR1A
SCHEMBL9447918 0.86 SLC22A1 (0.49) PRCPSLC22A1SIGMAR1CYP11B2
SCHEMBL9448224 0.86 PRCP (0.36) STSPRCPSLC22A1OPRM1SIGMAR1
SCHEMBL9447997 0.86 PRCP (0.36) STSPRCPSLC22A1OPRM1SIGMAR1
SCHEMBL9448240 0.86 FADS1 (0.41) STSPRCPSLC22A1OPRM1TAS1R3
SCHEMBL9448258 0.85 SRD5A1 (0.39) STS
SCHEMBL9448251 0.85 SRD5A1 (0.39) STS

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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