SCHEMBL14219994

SCHEMBL14219994

C[C@H](Cc1c(F)cc(CCC2CCC(c3ccc(C#N)cc3)CC2)cc1F)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 5/20 0.38
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
HAT1 O14929 2/20 0.34
SCD5 Q86SK9 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
MGLL Q99685 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
TACR1 P25103 1/20 0.32
MRGPRX1 Q96LB2 1/20 0.32
SCD O00767 1/20 0.32
FASN P49327 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
SCHEMBL14219583 1.00 EP300 (0.38) EP300GRIA1GRIA2GRIA3HAT1
SCHEMBL14219934 0.92 EP300 (0.40) EP300HAT1SCD5MAOAMAOB
SCHEMBL14219945 0.92 EP300 (0.40) EP300HAT1SCD5MAOAMAOB
SCHEMBL14219589 0.89 CHRM4 (0.36) TACR1
SCHEMBL14219394 0.88 GRIA1 (0.40) EP300GRIA1GRIA2GRIA3HAT1
SCHEMBL14219968 0.87 CCR1 (0.36)
SCHEMBL14219574 0.87 CCR1 (0.36)
SCHEMBL14219577 0.86 MAOA (0.34) MAOAMAOB
SCHEMBL14219970 0.86 MAOA (0.34) MAOAMAOB
SCHEMBL14219980 0.86 EP300 (0.43) EP300GRIA1GRIA2GRIA3HAT1

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