SCHEMBL21796354

SCHEMBL21796354

Cc1ccc(C(C)Nc2nccnc2-c2ccc(NC(=O)Cc3ccc(C(F)(F)C(C)O)cc3)cc2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PSEN1 P49768 2/20 0.40
▸ PSEN2 P49810 2/20 0.40
▸ APH1B Q8WW43 2/20 0.40
▸ NCSTN Q92542 2/20 0.40
▸ APH1A Q96BI3 2/20 0.40
▸ PSENEN Q9NZ42 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PSMB5 P28074 1/20 0.39
▸ WNT3A P56704 2/20 0.38
▸ RORC P51449 3/20 0.38
▸ GAA P10253 1/20 0.38
▸ CACNA1I Q9P0X4 1/20 0.37
▸ ANO1 Q5XXA6 1/20 0.37
▸ P2RY14 Q15391 1/20 0.37
▸ RET P07949 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL18449664 1.00 SMN1; SMN2 (0.40) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL19205760 0.90 PSMB5 (0.41) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL19205757 0.90 PSMB5 (0.41) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL18448244 0.85 PSEN1 (0.43) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL21796367 0.85 PSEN1 (0.39) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL21133931 0.85 PSEN1 (0.39) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL19205660 0.85 PSEN1 (0.39) SMN1; SMN2PSEN1PSEN2APH1BNCSTN
SCHEMBL19205763 0.84 TRPV1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21796351 0.84 TRPV1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL19205790 0.83 RORC (0.41) SMN1; SMN2PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3331863-B1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2020-03-11 — — EP claimed
EP-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 — — EP disclosed
EP-3331863-B1 NOVEL COMPOUNDS AS ROR GAMMA MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2020-03-11 — — EP disclosed
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