SCHEMBL7436852

SCHEMBL7436852

C1CCC1.CCNc1nc(C)nc2c1CC(C)C(=O)N2c1c(C)cc(C)cc1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 8/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 1/20 0.32
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HSD17B10 Q99714 1/20 0.30
MAPT P10636 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL7440014 0.92
SCHEMBL5843381 0.83 CRHR1 (0.34) CRHR1ALDH1A1KDM4ERAB9A
SCHEMBL7436842 0.81 CRHR1 (0.43) CRHR1ALOX15
SCHEMBL6303126 0.79 KDM4E (0.33) CRHR1ALDH1A1KDM4ERAB9AMAPT
SCHEMBL7429966 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL5599412 0.74 CRHR1 (0.51) CRHR1TDP1
SCHEMBL7440000 0.74 CRHR1 (0.36) CRHR1ALOX15
SCHEMBL7437868 0.74 CRHR1 (0.36) CRHR1ALOX15
SCHEMBL16450894 0.70 ALDH1A1 (0.38) ALDH1A1KDM4ERAB9ATSHRMAPT
SCHEMBL6797092 0.68 CRHR1 (0.50) CRHR1

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-1149583-A2 Combinations of corticotropin releasing factor antagonists and growth hormone secretagogues Pfizer Products Inc. (US) 2001-10-31 EP claimed