SCHEMBL25955585

SCHEMBL25955585

CN1CCOc2ccc(-c3cccnc3Sc3ccc(C(F)(F)F)cc3)cc2[S+]1[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR142 Q7Z601 8/20 0.34
▸ CYP2D6 P10635 5/20 0.34
▸ CYP2C9 P11712 5/20 0.34
▸ KCNH2 Q12809 5/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ ITGB2 P05107 2/20 0.32
▸ ICAM1 P05362 2/20 0.32
▸ ITGAL P20701 2/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ PIK3CA P42336 2/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ PIK3CG P48736 1/20 0.31
▸ CREBBP Q92793 1/20 0.31
▸ SCN9A Q15858 3/20 0.31
▸ SCN5A Q14524 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 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
SCHEMBL25955573 0.88 ITGB2 (0.33) GPR142CYP2D6CYP2C9KCNH2CYP3A4
SCHEMBL25338102 0.79 GPR142 (0.37) GPR142CYP2D6CYP2C9KCNH2CYP3A4
SCHEMBL25955625 0.74 PDE10A (0.35) GPR142CYP2D6CYP2C9KCNH2TRPV1
SCHEMBL21780467 0.74 KCNH2 (0.45) GPR142CYP2D6CYP2C9KCNH2CYP3A4
SCHEMBL25955647 0.72 PDE10A (0.40) —
SCHEMBL22563248 0.69 TLR8 (0.36) GPR142CYP2D6CYP2C9KCNH2CYP3A4
SCHEMBL25374988 0.68 ADORA2A (0.44) KCNH2CREBBP
SCHEMBL21780488 0.66 ROCK2 (0.36) GPR142CYP2D6CYP2C9KCNH2CYP3A4
SCHEMBL30544079 0.66 GPR142 (0.36) GPR142CYP2D6CYP2C9KCNH2CYP3A4
SCHEMBL25339990 0.66 GPR142 (0.36) GPR142CYP2D6CYP2C9KCNH2CYP3A4

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
WO-2023146511-A1 COMPOUNDS AND METHODS OF USE THEREOF VIVACE THERAPEUTICS, INC. (US) 2023-08-03 — — WO disclosed
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