SCHEMBL13891760

SCHEMBL13891760

CSc1nc2c(c(-c3ccccc3C)n1)C(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CCCO2

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.41
ADRB2 P07550 1/20 0.37
FPR1 P21462 1/20 0.37
GPR183 P32249 1/20 0.37
APLNR P35414 1/20 0.37
GLP1R P43220 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
GPR35 Q9HC97 1/20 0.37
ROCK2 O75116 1/20 0.35
ROCK1 Q13464 1/20 0.35
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 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
SCHEMBL13891737 0.90 TACR1 (0.41) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL13891713 0.89 TACR1 (0.42) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL13891686 0.89 MAPT (0.35)
SCHEMBL13891758 0.86 TACR1 (0.41) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL5229635 0.85 TACR1 (0.41) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL13891718 0.85 TACR1 (0.40) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL5230402 0.84 TACR1 (0.40) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL13891719 0.83 TACR1 (0.48) TACR1ROCK2ROCK1
SCHEMBL5530963 0.83 TACR1 (0.41) TACR1ADRB2FPR1GPR183APLNR
SCHEMBL5230109 0.83 TACR1 (0.39) TACR1ADRB2FPR1GPR183APLNR

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-1473295-B1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES KYORIN SEIYAKU KK (JP) 2009-04-01 EP disclosed