SCHEMBL8505197

SCHEMBL8505197

CCOCC1Cc2ccccc2CN1Cc1c(CC)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1CC

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRB3 P28472 19/20 0.41
▸ GABRA2 P47869 12/20 0.41
▸ GABRB2 P47870 12/20 0.41
▸ GABRP O00591 7/20 0.33
▸ GABRD O14764 7/20 0.33
▸ GABRA1 P14867 7/20 0.33
▸ GABRB1 P18505 7/20 0.33
▸ GABRG2 P18507 7/20 0.33
▸ GABRA5 P31644 7/20 0.33
▸ GABRA3 P34903 7/20 0.33
▸ GABRA4 P48169 7/20 0.33
▸ GABRE P78334 7/20 0.33
▸ GABRA6 Q16445 7/20 0.33
▸ GABRG1 Q8N1C3 7/20 0.33
▸ GABRG3 Q99928 7/20 0.33
▸ GABRQ Q9UN88 7/20 0.33

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 0.93 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8328707 0.92 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7604165 0.90 GABRB3 (0.36) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8329393 0.89 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8587701 0.88 GABRB3 (0.38) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL8330780 0.83 CCNE2 (0.38) —
SCHEMBL8329122 0.83 OPRM1 (0.31) —
SCHEMBL8328765 0.83 BCL2 (0.31) —
SCHEMBL8325824 0.83 OPRM1 (0.31) —
SCHEMBL8330433 0.83 OPRM1 (0.31) —

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 1 patent. 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
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