SCHEMBL14219462

SCHEMBL14219462

C[C@H](Cc1c(F)cc(C2CCC(c3ccc(F)cc3)CC2)cc1F)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.39
EPHX1 P07099 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TACR1 P25103 1/20 0.36
OPRM1 P35372 1/20 0.35
CCR5 P51681 2/20 0.35
ADRB2 P07550 1/20 0.35
CCR2 P41597 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
MRGPRX1 Q96LB2 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
SCHEMBL14219465 0.90 ADRB2 (0.39) CCR1ADRB2
SCHEMBL14220025 0.90 ADRB2 (0.39) CCR1ADRB2
SCHEMBL14219911 0.87 SPHK1 (0.37) CCR1POLB
SCHEMBL14219454 0.87 SPHK1 (0.37) CCR1POLB
SCHEMBL14219394 0.87 GRIA1 (0.40) TACR1MRGPRX1
SCHEMBL14219589 0.86 CHRM4 (0.36) CCR1EPHX1TACR1CCR2POLB
SCHEMBL14219948 0.86 POLB (0.38) POLB
SCHEMBL14219938 0.86 POLB (0.38) POLB
SCHEMBL14219915 0.86 MEN1 (0.39) ATML3MBTL1ALDH1A1
SCHEMBL14219398 0.86 MEN1 (0.39) ATML3MBTL1ALDH1A1

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