SCHEMBL8328971

SCHEMBL8328971

COCC1Cc2ccccc2CN1Cc1c(C)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1SC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 20/20 0.38
▸ GABRD O14764 20/20 0.38
▸ GABRA1 P14867 20/20 0.38
▸ GABRB1 P18505 20/20 0.38
▸ GABRG2 P18507 20/20 0.38
▸ GABRB3 P28472 20/20 0.38
▸ GABRA5 P31644 20/20 0.38
▸ GABRA3 P34903 20/20 0.38
▸ GABRA2 P47869 20/20 0.38
▸ GABRB2 P47870 20/20 0.38
▸ GABRA4 P48169 20/20 0.38
▸ GABRE P78334 20/20 0.38
▸ GABRA6 Q16445 20/20 0.38
▸ GABRG1 Q8N1C3 20/20 0.38
▸ GABRG3 Q99928 20/20 0.38
▸ GABRQ Q9UN88 20/20 0.38

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
SCHEMBL8327392 0.91 BCL2 (0.36) —
SCHEMBL8329192 0.91 BCL2 (0.36) —
SCHEMBL8326640 0.90 GABRB3 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8351551 0.87 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8330693 0.84 GABRB3 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8587701 0.81 GABRB3 (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7604179 0.81 GABRB3 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8327852 0.80 MEN1 (0.36) —
SCHEMBL8505197 0.77 GABRB3 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8350166 0.77 CDK4 (0.36) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5968944-A TREATING STRESS AND ANXIETY RELATED DISORDERS PFIZER INC. (US) 1999-10-19 — — US disclosed
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