SCHEMBL5492349

SCHEMBL5492349

CCCCNC(C)c1nc(C(F)(F)F)nc2c1CCN2c1ccc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 4/20 0.36
CNR2 P34972 4/20 0.33
CNR1 P21554 2/20 0.33
MC4R P32245 2/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5495624 0.88 CRHR1 (0.45) CRHR1CNR2CNR1
SCHEMBL5489901 0.84 CRHR1 (0.41) CRHR1CNR2CNR1MC4R
SCHEMBL5492346 0.82 CRHR1 (0.38) CRHR1CNR2MC4RKDM4ENPC1
SCHEMBL5492341 0.82 CRHR1 (0.37) CRHR1CNR2CNR1MC4RKDM4E
SCHEMBL5492338 0.76 CRHR1 (0.45) CRHR1
SCHEMBL5492494 0.71 CRHR1 (0.46) CRHR1CNR2CNR1
SCHEMBL5492499 0.69 CRHR1 (0.47) CRHR1CNR2CNR1
SCHEMBL5495262 0.69 CRHR1 (0.49) CRHR1CNR2CNR1
SCHEMBL5495271 0.68 CRHR1 (0.47) CRHR1SMN1; SMN2
SCHEMBL5489896 0.67 CRHR1 (0.40) CRHR1MC4R

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-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed