SCHEMBL22270870

SCHEMBL22270870

C=C(Cc1ccc(C(F)(F)CC)cc1)Nc1ccc(-c2nccnc2-c2ccc(C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 14/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAPT P10636 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL19205616 0.87 SMN1; SMN2 (0.52) TRPV1SMN1; SMN2GAARAB9ACYP2D6
SCHEMBL22271052 0.82 PPIA (0.39) TRPV1
SCHEMBL22271055 0.82 TRPV1 (0.39) TRPV1
SCHEMBL18448341 0.79 RORC (0.52) TRPV1CYP2D6PSEN1PSEN2APH1B
SCHEMBL18448279 0.78 WNT3A (0.54) SMN1; SMN2RAB9ACYP2D6PSEN1PSEN2
SCHEMBL18449671 0.78 RAB9A (0.49) TRPV1SMN1; SMN2RAB9ACYP2D6PSEN1
SCHEMBL18447797 0.78 PSEN1 (0.44) TRPV1SMN1; SMN2GAARAB9ACYP2D6
SCHEMBL18448521 0.78 RORC (0.49) SMN1; SMN2GAARAB9ACYP2D6PSEN1
SCHEMBL18447801 0.77 NPC1 (0.51) TRPV1SMN1; SMN2RAB9AMAPTCYP2D6
SCHEMBL18447818 0.76 SMN1; SMN2 (0.56) SMN1; SMN2GAARAB9AMAPTMEN1

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-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 — — EP disclosed
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