SCHEMBL9448318

SCHEMBL9448318

CS(=O)(=O)OC1NC(Cc2ccccc2)C2CCc3cc(Br)ccc3C12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 3/20 0.35
▸ FNTB P49356 3/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ MMP2 P08253 2/20 0.33
▸ SRD5A1 P18405 1/20 0.32
▸ STS P08842 4/20 0.32
▸ KDM1A O60341 2/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ SLC6A9 P48067 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ NPY5R Q15761 2/20 0.31

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
SCHEMBL9448190 0.88 CYP19A1 (0.43) TRPV1SLC6A9NPY5R
SCHEMBL9448017 0.86 TRPV1 (0.35) TRPV1SRD5A1STSKDM1AACHE
SCHEMBL9448214 0.82 NPY5R (0.31) NPY5R
SCHEMBL9448187 0.80 CYP19A1 (0.43) ACHE
SCHEMBL9448101 0.80 GRM7 (0.37) —
SCHEMBL9448202 0.78 SRD5A1 (0.35) FNTAFNTBTRPV1MMP2SRD5A1
SCHEMBL9448449 0.77 TRPV1 (0.38) TRPV1SRD5A1
SCHEMBL9448284 0.76 CYP19A1 (0.40) TRPV1SLC6A9NPY5R
SCHEMBL9448316 0.74 STS (0.39) FNTAFNTBTRPV1SRD5A1STS
SCHEMBL9448311 0.74 STS (0.39) FNTAFNTBTRPV1SRD5A1STS

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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