SCHEMBL8828744

SCHEMBL8828744

CCC(O)(c1ccccc1OCC(F)(F)F)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.46
▸ SLC6A4 P31645 4/20 0.46
▸ SSTR4 P31391 3/20 0.41
▸ HTR2C P28335 3/20 0.40
▸ HTR2A P28223 2/20 0.39
▸ SSTR1 P30872 2/20 0.38
▸ AR P10275 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ NCF1 P14598 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ DRD2 P14416 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
SCHEMBL9816209 0.71 CHRM2 (0.48) KCNH2HTR1A
SCHEMBL5473619 0.71 SLC6A2 (0.62) SLC6A2SLC6A4CYP2C19HTR1ASLC6A3
Hydrochloric Acid SCHEMBL5858161 0.70 HTR1A (0.61) SLC6A2SLC6A4CYP2C19HTR1ASLC6A3
SCHEMBL26655537 0.70 SSTR4 (0.40) SSTR4SSTR1CYP1A2CYP2C19
SCHEMBL22024912 0.70 SSTR4 (0.40) SSTR4SSTR1CYP1A2CYP2C19
SCHEMBL12806763 0.69 PLD1 (0.43) SLC6A4HTR2CHTR2AEPHX2CYP2C19
SCHEMBL28060228 0.68 RXRA (0.50) SSTR4SSTR1DRD2
SCHEMBL8828585 0.68 CYP1A2 (0.37) SLC6A2SLC6A4CYP1A2CYP2C19KCNH2
SCHEMBL11301451 0.68 SLC6A2 (0.44) SLC6A2SLC6A4HTR2CHTR2AKCNH2
SCHEMBL19768706 0.67 HSD17B10 (0.49) SSTR4SSTR1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 — — US disclosed
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