SCHEMBL5837448

SCHEMBL5837448

CCc1c(C)nc(Cl)c(C(=O)O)c1-n1ccc(N2CCNC2=O)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.41
CMA1 P23946 1/20 0.33
TNKS2 Q9H2K2 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA5 P08648 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB5 P18084 1/20 0.31
ITGB8 P26012 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
SCHEMBL2191307 0.72 CRHR1 (0.56) CRHR1CMA1
SCHEMBL2191077 0.70 CRHR1 (0.51) CRHR1
SCHEMBL2258351 0.70 CRHR1 (0.42) CRHR1
SCHEMBL2331351 0.69 CRHR1 (0.41) CRHR1
SCHEMBL1922961 0.65 CRHR1 (0.37) CRHR1
SCHEMBL12146457 0.64 CRHR1 (0.40) CRHR1POLBCYP1A2CYP3A4CYP2D6
SCHEMBL15219419 0.62 CCNC (0.41) CRHR1TSHRCYP1A2CYP3A4
SCHEMBL29274960 0.61 ALDH1A1 (0.39) MEN1TSHRMAPK1KMT2ACYP1A2
SCHEMBL11915934 0.59 CRHR1 (0.38) CRHR1TSHRCYP1A2CYP3A4
SCHEMBL2190787 0.58 CRHR1 (0.39) CRHR1KMT2APOLBITGB3ITGB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611133-A1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC. CSC, The United States Corporation Company (PR) 2006-01-04 EP disclosed
WO-2004094420-A1 CONDENSED N-HETEROCYCLIC COMPOUNDS AND THEIR USE AS CRF RECEPTOR ANTAGONISTS SB PHARMCO PUERTO RICO INC (US) 2004-11-04 WO disclosed