SCHEMBL6877438

SCHEMBL6877438

Cc1nc(NC2CCC(NCc3cccc(OC(F)(F)F)c3)CC2)nc(N(C)C)c1C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.49
PRMT6 Q96LA8 2/20 0.49
MCHR1 Q99705 10/20 0.49
ADRA2A P08913 7/20 0.49
RIPK2 O43353 1/20 0.41
NPY5R Q15761 4/20 0.41
ALDH1A1 P00352 1/20 0.41
CCNT1 O60563 1/20 0.40
GALR2 O43603 1/20 0.40
GALR1 P47211 1/20 0.40
EPHX2 P34913 1/20 0.40
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
PIM1 P11309 1/20 0.37

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
SCHEMBL6877434 1.00 CARM1 (0.49) CARM1PRMT6MCHR1ADRA2ARIPK2
SCHEMBL6875280 0.86 MCHR1 (0.50) CARM1PRMT6MCHR1ADRA2ARIPK2
SCHEMBL6875273 0.86 MCHR1 (0.50) CARM1PRMT6MCHR1ADRA2ARIPK2
SCHEMBL13795469 0.85 MCHR1 (0.67) CARM1PRMT6MCHR1ADRA2ANPY5R
SCHEMBL6877508 0.84 MCHR1 (0.59) CARM1PRMT6MCHR1ADRA2ARIPK2
SCHEMBL6877502 0.84 MCHR1 (0.59) CARM1PRMT6MCHR1ADRA2ARIPK2
SCHEMBL6456562 0.82 MCHR1 (0.47) CARM1PRMT6MCHR1ADRA2ANPY5R
Trifluoroacetic Acid SCHEMBL6455401 0.80 MCHR1 (0.49) CARM1PRMT6MCHR1ADRA2ANPY5R
SCHEMBL6459651 0.80 MCHR1 (0.67) MCHR1ADRA2ANPY5R
SCHEMBL6459661 0.80 MCHR1 (0.67) MCHR1ADRA2ANPY5R

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed