SCHEMBL7353116

SCHEMBL7353116

Cc1cc(C)c(-n2nc(C)c3c(OC4CCOC4)cc(C)nc32)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.38
PDE10A Q9Y233 4/20 0.36
PDE2A O00408 2/20 0.36
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
GRM5 P41594 4/20 0.34
PDE4A P27815 4/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
PDE3B Q13370 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
PAX8 Q06710 1/20 0.32
LRRK2 Q5S007 2/20 0.32

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
SCHEMBL5843656 0.72 CRHR1 (0.50) CRHR1
SCHEMBL7935053 0.71 ALDH1A1 (0.50) CRHR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5787986 0.69 BRD4 (0.35) CRHR1PDE10APDE2AGRM5PDE4A
SCHEMBL5787990 0.69 BRD4 (0.35) CRHR1PDE10APDE2AGRM5PDE4A
SCHEMBL7928892 0.69 KDM4E (0.49) CRHR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL6634034 0.67 SYK (0.38) PDE10APDE2AGRM5PDE4APDE4B
SCHEMBL5611294 0.67 CRHR1 (0.44) CRHR1
SCHEMBL6305307 0.66 CRHR1 (0.46) CRHR1GRM5PDE4APDE4BPDE4C
SCHEMBL7937119 0.66 CRHR1 (0.46) CRHR1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL18482194 0.63 GRM5 (0.45) PDE10APDE2AGRM5PDE4APDE4B

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384039-B1 ADMINISTERING CORTICOTROPIN RELEASING FACTOR ANTAGONIST PFIZER INC. 2002-05-07 US claimed
EP-1040831-A2 Use of corticotropin releasing factor (CRF) antagonists to prevent sudden death Pfizer Products Inc. (US) 2000-10-04 EP claimed
US-6403599-B1 STROKE, HYPERTENSION, TACHYCARDIA, AND CONGESTIVE HEART FAILURE, OSTEOPOROSIS, PREMATURE BIRTH, PSYCHOSOCIAL DWARFISM, STRESS-INDUCED FEVER, ULCER, DIARRHEA, POST-OPERATIVE ILEUS, AND COLONIC HYPERSENSITIVITY, CARDIOVASCULAR DISORDERS PFIZER INC 2002-06-11 US disclosed
US-6387894-B1 MIXTURE OF CORTICOTROPIN RELEASING FACTOR ANTAGINIST AND RENIN-ANGIOTENSIN SYSTEM INHIBITOR; THERAPY FOR CONGESTIVE HEART FAILURE, HYPOTENSIVE AGENTS PFIZER INC. 2002-05-14 US disclosed
US-6248753-B1 CORTICOTROPIN-RELEASING FACTOR (CRF) ANTAGONISTS PFIZER INC 2001-06-19 US disclosed
EP-1059100-A2 Combinations of CRF antagonists and renin-angiotensin system inhibitors Pfizer Products Inc. (US) 2000-12-13 EP disclosed
EP-0765327-B1 PYRAZOLO AND PYRROLOPYRIDINES PFIZER (US) 1999-07-21 EP disclosed
EP-0773023-A1 New uses for corticotropin releasing factor (CRF) antagonists PFIZER INC. (US) 1997-05-14 EP disclosed