SCHEMBL9448251

SCHEMBL9448251

Fc1cccc(CC2NCC3c4ccc(C(F)(F)F)cc4CCC23)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 1/20 0.39
▸ STS P08842 2/20 0.38
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ UBE2M P61081 1/20 0.33
▸ DCUN1D1 Q96GG9 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ HTR2C P28335 2/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ CHRNB2 P17787 2/20 0.32
▸ CHRNA4 P43681 2/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ PNMT P11086 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
SCHEMBL9448258 1.00 SRD5A1 (0.39) SRD5A1STSMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL9448438 0.99 SRD5A1 (0.38) SRD5A1STSMEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL9448434 0.99 SRD5A1 (0.38) SRD5A1STSMEN1ALDH1A1MAPT
SCHEMBL9448176 0.90 SRD5A1 (0.41) SRD5A1STSMAPTHTR2CHTR2B
SCHEMBL9448180 0.90 SRD5A1 (0.41) SRD5A1STSMAPTHTR2CHTR2B
Hydrochloric Acid SCHEMBL9448117 0.89 SRD5A1 (0.40) SRD5A1STSMAPTHTR2CHTR2B
SCHEMBL9448151 0.89 SRD5A1 (0.40) SRD5A1STSTRPV1HTR2CHTR2B
SCHEMBL9448012 0.88 SRD5A1 (0.40) SRD5A1STSUBE2MDCUN1D1HTR2C
SCHEMBL9448015 0.88 SRD5A1 (0.40) SRD5A1STSUBE2MDCUN1D1HTR2C
Hydrochloric Acid SCHEMBL9448431 0.88 SRD5A1 (0.40) SRD5A1STSUBE2MDCUN1D1HTR2C

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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