SCHEMBL9713632

SCHEMBL9713632

Cc1cnc(C#Cc2ccc(OC(F)(F)C(F)F)cc2)nc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.36
GRM5 P41594 2/20 0.35
TRPV1 Q8NER1 3/20 0.34
ACACB O00763 5/20 0.34
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
FFAR1 O14842 1/20 0.30
SCN9A Q15858 1/20 0.30

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
SCHEMBL9713133 0.87 RXRA (0.41) MCHR1GRM5ACACBRXRAGRIN1
SCHEMBL9713362 0.85 ACACB (0.39) MCHR1TRPV1ACACBRXRAGRIN1
SCHEMBL9713235 0.83 GRM5 (0.37) MCHR1GRM5ACACB
SCHEMBL9713673 0.83 MCHR1 (0.38) MCHR1ACACB
SCHEMBL9713143 0.81 MCHR1 (0.37) MCHR1ACACBALDH1A1TSHRMEN1
SCHEMBL9713931 0.80 MAPT (0.40) MCHR1ACACBALDH1A1MEN1KMT2A
SCHEMBL9713550 0.79 L3MBTL1 (0.39) MCHR1ACACBALDH1A1TSHRHSD17B10
SCHEMBL9713150 0.79 L3MBTL1 (0.39) MCHR1ACACBALDH1A1TSHRHSD17B10
SCHEMBL9712902 0.79 L3MBTL1 (0.39) MCHR1ACACBALDH1A1TSHRHSD17B10
SCHEMBL9712931 0.75 ACACB (0.49) MCHR1GRM5ACACB

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-5164114-A LIQUID CRYSTAL MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1992-11-17 US disclosed