SCHEMBL7967756

SCHEMBL7967756

CSc1nn(-c2c(Cl)cc(Cl)cc2C(F)(F)F)c(N)c1C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 18/20 0.61
GABRD O14764 18/20 0.61
GABRA1 P14867 18/20 0.61
GABRB1 P18505 18/20 0.61
GABRG2 P18507 18/20 0.61
GABRB3 P28472 18/20 0.61
GABRA5 P31644 18/20 0.61
GABRA3 P34903 18/20 0.61
GABRA2 P47869 18/20 0.61
GABRB2 P47870 18/20 0.61
GABRA4 P48169 18/20 0.61
GABRE P78334 18/20 0.61
GABRA6 Q16445 18/20 0.61
GABRG1 Q8N1C3 18/20 0.61
GABRG3 Q99928 18/20 0.61
GABRQ Q9UN88 18/20 0.61
CDK4 P11802 1/20 0.52
CCND1 P24385 1/20 0.52
SRC P12931 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL6209806 0.88 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7953277 0.85 GABRP (0.83) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6209612 0.76 SRC (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6922947 0.76 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8783057 0.75 GABRP (0.77) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6926812 0.73 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7570748 0.73 GABRP (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7967691 0.72 PLK4 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7581747 0.72 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6208684 0.71 SRC (0.57) GABRPGABRDGABRA1GABRB1GABRG2

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 4 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
EP-0674642-A1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1995-10-04 EP disclosed
WO-1994013677-A1 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO disclosed