SCHEMBL13659457

SCHEMBL13659457

N#Cc1c(F)cc(F)cc1OC1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.44
▸ SLC6A2 P23975 5/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ HRH1 P35367 3/20 0.38
▸ SLC6A4 P31645 2/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ MAP3K5 Q99683 1/20 0.36
▸ NMT1 P30419 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 2/20 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
SCHEMBL18305639 0.86 GPR6 (0.36) —
SCHEMBL13914989 0.86 GPR6 (0.36) —
SCHEMBL1142207 0.80 TRPV4 (0.35) —
SCHEMBL18305797 0.79 TRPV4 (0.34) —
SCHEMBL4229118 0.75 HTR1A (0.46) HTR1ASLC6A2SLC6A3HRH1SLC6A4
SCHEMBL225826 0.75 SLC6A2 (0.49) HTR1ASLC6A2SLC6A3HRH1SLC6A4
SCHEMBL3130228 0.74 SLC6A2 (0.50) HTR1ASLC6A2SLC6A3HRH1SLC6A4
SCHEMBL31336126 0.74 TRPV4 (0.35) SLC6A4
SCHEMBL26076211 0.74 TRPV4 (0.35) SLC6A4
SCHEMBL4413610 0.73 CTSL (0.41) CSNK2A2CSNK2A1

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
WO-2009129938-A1 SUBSTITUTED PHENOXYBENZAMIDES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-29 — — WO disclosed
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