SCHEMBL7937496

SCHEMBL7937496

C=CCN(CC=C)c1nc(Cl)nc2c(N(CC=C)CC=C)nc(Cl)nc12

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 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
SCHEMBL17494530 0.89
SCHEMBL10503016 0.82
SCHEMBL10501912 0.76
SCHEMBL7679209 0.76 PRKCI (0.36) CRHR1
SCHEMBL9821986 0.74 CRHR1 (0.37) CRHR1
SCHEMBL9821919 0.74 CRHR1 (0.37) CRHR1
SCHEMBL7930932 0.71 SLC29A1 (0.47)
SCHEMBL6227893 0.71 ALDH1A1 (0.33) CRHR1
SCHEMBL29152865 0.71 PDE4A (0.35) CRHR1
SCHEMBL7940047 0.65 HTT (0.36) 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
US-6232312-B1 ADMINISTERING A COMBINATION OF INDENE AND PYRIMIDO(5,4-D)PYRIMIDINE DERIVATIVES TO TREAT PREPANCREATIC CANCER CELL PATHWAYS, INC. 2001-05-15 US disclosed