SCHEMBL4702277

SCHEMBL4702277

CCC(NCc1ccccc1)c1c2cccc(-c3c(C)cc(C)cc3C)c2nn1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.43
ADORA3 P0DMS8 2/20 0.36
ADORA1 P30542 2/20 0.36
ELANE P08246 1/20 0.32
HPGD P15428 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
KLKB1 P03952 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
SCHEMBL4700167 0.89 CRHR1 (0.36) CRHR1KLKB1
SCHEMBL4702631 0.86 POLB (0.36) CRHR1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4701268 0.84 CRHR1 (0.37) CRHR1HPGDMEN1KMT2AALDH1A1
SCHEMBL4702339 0.83 CRHR1 (0.44) CRHR1
SCHEMBL4698860 0.83 CRHR1 (0.44) CRHR1ALDH1A1KDM4ELMNA
SCHEMBL4702273 0.76 CRHR1 (0.40) CRHR1ADORA3ADORA1ALDH1A1MAPT
SCHEMBL3364667 0.74 CRHR1 (0.40) CRHR1KDM4EMAPT
SCHEMBL4702271 0.73 CRHR1 (0.39) CRHR1MEN1KMT2APOLB
SCHEMBL4702269 0.72 CRHR1 (0.64) CRHR1
SCHEMBL4757564 0.71 CRHR1 (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
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP claimed