SCHEMBL28876528

SCHEMBL28876528

CCC(C(N)=O)c1ccccc1N1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 15/20 0.53
▸ NPC1 O15118 1/20 0.51
▸ KCNQ3 O43525 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ KCNE1 P15382 1/20 0.51
▸ KCNQ1 P51787 1/20 0.51
▸ KCNQ4 P56696 1/20 0.51
▸ POLB P06746 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ GAA P10253 1/20 0.43

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
SCHEMBL10356470 0.79 KCNQ2 (0.46) KCNQ2NPC1KCNQ3CYP1A2CYP3A4
SCHEMBL6081054 0.77 KCNQ2 (0.56) KCNQ2NPC1KCNQ3CYP1A2CYP3A4
SCHEMBL6080834 0.77 KCNQ2 (0.49) KCNQ2NPC1KCNQ3CYP1A2CYP3A4
SCHEMBL4035042 0.77 KCNQ2 (0.45) KCNQ2NPC1KCNQ3CYP1A2CYP3A4
SCHEMBL18713588 0.77 GAA (0.47) KCNQ2NPC1KCNQ3CYP1A2CYP3A4
SCHEMBL10673584 0.76 KCNQ2 (0.44) KCNQ2NPC1KCNQ3CYP1A2CYP3A4
SCHEMBL16628549 0.75 MGLL (0.55) KCNQ2
SCHEMBL10673848 0.75 KCNQ2 (0.42) KCNQ2NPC1KCNQ3CYP1A2CYP3A4
SCHEMBL10674011 0.74 MAPT (0.44) KCNQ2NPC1KCNQ3CYP1A2CYP3A4
SCHEMBL5795776 0.73 KEAP1 (0.55) KCNQ2NPC1GAA

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
CN-110234643-A ROR gamma modulators and application thereof 基恩菲特公司 2019-09-13 — — CN claimed
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