SCHEMBL7965101

SCHEMBL7965101

CCCCNCCc1nc(C)nc2c1c(C)nn2-c1c(C)cc(C)cc1C

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 0.56
TDP1 Q9NUW8 1/20 0.39
FPR3 P25089 2/20 0.38
TSPO P30536 2/20 0.38
TMEM97 Q5BJF2 2/20 0.38
KMT2A Q03164 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
SCHEMBL6053303 0.83 CRHR1 (0.52) CRHR1TDP1KMT2A
SCHEMBL7628530 0.82 CRHR1 (0.43) CRHR1KMT2A
SCHEMBL7916250 0.81 CRHR1 (0.55) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL5845875 0.76 CRHR1 (0.48) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL7965099 0.72 CRHR1 (1.00) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL7437551 0.72 CRHR1 (0.66) CRHR1
SCHEMBL8122423 0.71 CRHR1 (0.55) CRHR1TDP1
SCHEMBL7965103 0.70 CRHR1 (0.55) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL7961654 0.70 CRHR1 (0.54) CRHR1TDP1
SCHEMBL5843320 0.70 CRHR1 (0.44) 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-6218397-B1 FOR THERAPY OF STRESS-RELATED ILLNESSES, SUCH AS STRESS-INDUCED DEPRESSION, ANXIETY, AND HEADACHE; ABDOMINAL BOWEL SYNDROME; INFLAMMATORY DISEASES; IMMUNE SUPPRESSION; ALZHEIMER'S DISEASE; GASTRONINTESTINAL DISEASES PFIZER INC 2001-04-17 US disclosed