SCHEMBL8329915

SCHEMBL8329915

CCOC(=O)c1c(SC)nn(-c2c(Cl)cc(Cl)cc2Cl)c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.62
GABRD O14764 3/20 0.62
GABRA1 P14867 3/20 0.62
GABRB1 P18505 3/20 0.62
GABRG2 P18507 3/20 0.62
GABRB3 P28472 3/20 0.62
GABRA5 P31644 3/20 0.62
GABRA3 P34903 3/20 0.62
GABRA2 P47869 3/20 0.62
GABRB2 P47870 3/20 0.62
GABRA4 P48169 3/20 0.62
GABRE P78334 3/20 0.62
GABRA6 Q16445 3/20 0.62
GABRG1 Q8N1C3 3/20 0.62
GABRG3 Q99928 3/20 0.62
GABRQ Q9UN88 3/20 0.62
PDE4B Q07343 1/20 0.46
CDK4 P11802 8/20 0.44
CCND1 P24385 8/20 0.44
CCNE2 O96020 6/20 0.44

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
SCHEMBL8324889 0.84 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10574706 0.80 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6928418 0.77 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10389978 0.75 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8783057 0.74 GABRP (0.77) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20138118 0.73 KMT2A (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2071194 0.73 SMN1; SMN2 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8784192 0.72 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13741229 0.72 KDM4E (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6209806 0.72 GABRP (0.61) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0674631-B1 SUBSTITUTED PYRAZOLES AS CRF ANTAGONISTS PFIZER (US) 1999-12-08 EP disclosed
EP-0959074-A2 Substituted pyrazoles as CRF antagonists PFIZER INC. (US) 1999-11-24 EP disclosed
US-5968944-A TREATING STRESS AND ANXIETY RELATED DISORDERS PFIZER INC. (US) 1999-10-19 US disclosed
US-5958948-A CORTICOTROPIN RELEASING FACTOR; THERAPY FOR STRESS PFIZER, INC. (US) 1999-09-28 US disclosed
US-5705646-A Substituted pyrazoles as CRF antagonists PFIZER INC. (US) 1998-01-06 US disclosed
EP-0674631-A1 SUBSTITUTED PYRAZOLES AS CRF ANTAGONISTS PFIZER INC. (US) 1995-10-04 EP disclosed
WO-1994013661-A1 SUBSTITUTED PYRAZOLES AS CRF ANTAGONISTS PFIZER INC. (US) 1994-06-23 WO disclosed