SCHEMBL7965099

SCHEMBL7965099

CCCCN(CC)c1nc(C)nc2c1c(C)nn2-c1c(C)cc(C)cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 16/20 1.00
TDP1 Q9NUW8 2/20 0.69
FPR3 P25089 2/20 0.67
TSPO P30536 2/20 0.67
TMEM97 Q5BJF2 2/20 0.67

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
SCHEMBL5599759 0.93 CRHR1 (0.87) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL5599498 0.84 CRHR1 (0.72) CRHR1TDP1FPR3TSPOTMEM97
SCHEMBL7628525 0.84 CRHR1 (0.72) CRHR1TDP1FPR3TSPOTMEM97
Antalarmin SCHEMBL466243 0.82 CRHR1 (1.00) CRHR1TDP1FPR3TSPOTMEM97
Antalarmin SCHEMBL29832078 0.82 CRHR1 (1.00) CRHR1TDP1FPR3TSPOTMEM97
Antalarmin SCHEMBL25395568 0.81 CRHR1 (0.98) CRHR1TDP1FPR3TSPOTMEM97
Antalarmin SCHEMBL29601552 0.81 CRHR1 (0.98) CRHR1TDP1FPR3TSPOTMEM97
Cp-154526 SCHEMBL5707848 0.81 CRHR1 (1.00) CRHR1TDP1FPR3TSPOTMEM97
Cp-154526 SCHEMBL29706373 0.81 CRHR1 (1.00) CRHR1TDP1FPR3TSPOTMEM97
Cp-154526 SCHEMBL31012286 0.80 CRHR1 (1.00) 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 2 patents. 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
EP-0674642-B1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER (US) 2000-08-23 EP disclosed