SCHEMBL8330780

SCHEMBL8330780

CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(CC)c1CN1Cc2ccccc2CC1COC

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNE2 O96020 16/20 0.38
▸ CCNE1 P24864 16/20 0.38
▸ CDK2 P24941 16/20 0.38
▸ BCL2 P10415 1/20 0.34
▸ BAD Q92934 1/20 0.34
▸ CDK4 P11802 10/20 0.34
▸ CCND1 P24385 10/20 0.34
▸ CCNB2 O95067 4/20 0.34
▸ CDK1 P06493 4/20 0.34
▸ CCNB1 P14635 4/20 0.34
▸ CCNB3 Q8WWL7 4/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8330693 0.91 GABRB3 (0.42) BCL2BAD
SCHEMBL8506675 0.86 OPRM1 (0.37) BCL2BADOPRM1OPRD1OPRK1
SCHEMBL8587701 0.86 GABRB3 (0.38) BCL2BADOPRM1OPRD1OPRK1
SCHEMBL8326165 0.85 OPRM1 (0.36) BCL2BADOPRM1OPRD1OPRK1
SCHEMBL8329192 0.83 BCL2 (0.36) CCNE2CCNE1CDK2BCL2BAD
SCHEMBL8327392 0.83 BCL2 (0.36) CCNE2CCNE1CDK2BCL2BAD
SCHEMBL8505197 0.83 GABRB3 (0.41) —
SCHEMBL8347791 0.81 CDK4 (0.36) CCNE2CCNE1CDK2BCL2BAD
SCHEMBL8350166 0.81 CDK4 (0.36) CCNE2CCNE1CDK2BCL2BAD
SCHEMBL8328707 0.80 GABRB3 (0.39) BCL2

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 9 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 claimed
EP-0959074-A2 Substituted pyrazoles as CRF antagonists PFIZER INC. (US) 1999-11-24 — — EP claimed
EP-0674631-A1 SUBSTITUTED PYRAZOLES AS CRF ANTAGONISTS PFIZER INC. (US) 1995-10-04 — — EP claimed
WO-1994013661-A1 SUBSTITUTED PYRAZOLES AS CRF ANTAGONISTS PFIZER INC. (US) 1994-06-23 — — WO claimed
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
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
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