SCHEMBL14219945

SCHEMBL14219945

C[C@@H](Cc1c(F)cc(C2CCC(CCc3ccc(C#N)cc3)CC2)cc1F)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 6/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
HAT1 O14929 2/20 0.36
TACR1 P25103 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.34
MGLL Q99685 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
DPP4 P27487 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
LSS P48449 1/20 0.33
SCD5 Q86SK9 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
SCHEMBL14219934 1.00 EP300 (0.40) EP300MAOAMAOBHAT1TACR1
SCHEMBL14219994 0.92 EP300 (0.38) EP300MAOAMAOBHAT1TACR1
SCHEMBL14219583 0.92 EP300 (0.38) EP300MAOAMAOBHAT1TACR1
SCHEMBL14219938 0.89 POLB (0.38) MAOB
SCHEMBL14219948 0.89 POLB (0.38) MAOB
SCHEMBL14219933 0.88 MAOB (0.35) MAOAMAOB
SCHEMBL14219963 0.88 MAOB (0.35) MAOAMAOB
SCHEMBL14219394 0.88 GRIA1 (0.40) EP300HAT1TACR1MRGPRX1MGLL
SCHEMBL14219946 0.87 HAT1 (0.34) EP300MAOBHAT1
SCHEMBL14219598 0.86 EP300 (0.33) EP300MAOB

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
EP-1650285-B1 Liquid crystal composition containing an optically active compound and liquid crystal electro-optical element SEIMI CHEM KK (JP) 2008-04-30 EP disclosed