SCHEMBL7960908

SCHEMBL7960908

CCCN(CCC)c1nc(C)nc2c1c1ccccc1n2-c1c(C)cc(CNC)cc1C

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 15/20 0.61
TDP1 Q9NUW8 2/20 0.42
FPR3 P25089 1/20 0.36
TSPO P30536 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36

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
SCHEMBL7554871 0.88 CRHR1 (0.69) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL226802 0.88 CRHR1 (0.77) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL7557259 0.86 CRHR1 (0.66) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL7554726 0.85 CRHR1 (0.64) CRHR1TDP1
SCHEMBL7563114 0.85 CRHR1 (0.62) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL245417 0.79 CRHR1 (0.56) CRHR1TDP1
SCHEMBL7559415 0.77 CRHR1 (0.70) CRHR1TDP1
SCHEMBL7951086 0.76 CRHR1 (0.53) CRHR1
SCHEMBL7557848 0.75 CRHR1 (0.60) CRHR1
SCHEMBL7553858 0.75 CRHR1 (0.64) CRHR1TDP1FPR3TSPOTMEM97

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-6284766-B1 DIAGNOSIS, THERAPY OF STRESS DISORDERS NEUROGEN CORPORATION 2001-09-04 US disclosed