SCHEMBL27454974

SCHEMBL27454974

Nc1nccc(N2CCC(F)(F)CC2)n1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.66
▸ HRH4 Q9H3N8 1/20 0.61
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ ROCK1 Q13464 8/20 0.44
▸ OGA O60502 1/20 0.44
▸ ROCK2 O75116 1/20 0.43
▸ NUDT1 P36639 1/20 0.41
▸ MAP3K14 Q99558 1/20 0.40
▸ SORD Q00796 1/20 0.40
▸ CDC7 O00311 2/20 0.40
▸ CDK2 P24941 2/20 0.40

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
SCHEMBL30954035 1.00 HRH3 (0.66) HRH3HRH4GSK3AGSK3BROCK1
SCHEMBL18072491 0.81 HRH3 (0.62) HRH3HRH4ROCK1OGAROCK2
SCHEMBL14880196 0.80 HRH3 (0.71) HRH3HRH4ROCK1OGANUDT1
SCHEMBL17626748 0.80 HRH3 (0.71) HRH3HRH4ROCK1OGAMAP3K14
SCHEMBL30954009 0.80 TRPV1 (0.47) HRH3HRH4OGASORD
SCHEMBL26618088 0.80 TRPV1 (0.47) HRH3HRH4OGASORD
SCHEMBL30693986 0.80 HRH3 (0.43) HRH3HRH4ROCK2SORD
SCHEMBL13018701 0.80 HRH3 (0.65) HRH3HRH4ROCK1OGAROCK2
SCHEMBL2166795 0.80 HRH3 (1.00) HRH3HRH4ROCK1OGAROCK2
Bromide SCHEMBL20445910 0.79 HRH3 (0.69) HRH3HRH4ROCK1OGANUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024137984-A1 INHIBITORS OF KIF18A AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2024-06-27 — — WO disclosed
WO-2024137984-A1 INHIBITORS OF KIF18A AND USES THEREOF ACCENT THERAPEUTICS, INC. (US) 2024-06-27 — — WO disclosed
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