SCHEMBL9448151

SCHEMBL9448151

Fc1ccc(CC2NCC3c4ccc(C(F)(F)F)cc4CCC23)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 1/20 0.40
▸ LIPG Q9Y5X9 2/20 0.35
▸ LPL P06858 1/20 0.35
▸ STS P08842 4/20 0.35
▸ TRPV1 Q8NER1 3/20 0.35
▸ CHRNB2 P17787 2/20 0.33
▸ CHRNA4 P43681 2/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ PNMT P11086 1/20 0.33
▸ HTR2A P28223 3/20 0.33
▸ HTR2C P28335 3/20 0.33
▸ HTR2B P41595 3/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA5A P35218 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ OPRL1 P41146 1/20 0.32

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
SCHEMBL9448445 0.92 TRPV1 (0.43) SRD5A1LIPGLPLSTSTRPV1
SCHEMBL9448176 0.90 SRD5A1 (0.41) SRD5A1STSCHRNB2CHRNA4CHRNB4
SCHEMBL9448180 0.90 SRD5A1 (0.41) SRD5A1STSCHRNB2CHRNA4CHRNB4
SCHEMBL9448251 0.89 SRD5A1 (0.39) SRD5A1STSTRPV1CHRNB2CHRNA4
SCHEMBL9448258 0.89 SRD5A1 (0.39) SRD5A1STSTRPV1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL9448117 0.89 SRD5A1 (0.40) SRD5A1STSCHRNB2CHRNA4CHRNB4
Hydrochloric Acid SCHEMBL9448438 0.88 SRD5A1 (0.38) SRD5A1STSTRPV1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL9448434 0.88 SRD5A1 (0.38) SRD5A1STSTRPV1CHRNB2CHRNA4
SCHEMBL9448012 0.84 SRD5A1 (0.40) SRD5A1STSHTR2AHTR2CHTR2B
SCHEMBL9448015 0.84 SRD5A1 (0.40) SRD5A1STSHTR2AHTR2CHTR2B

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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