SCHEMBL31440798

SCHEMBL31440798

CC(C)(C)c1nc(N2CCCC(F)(F)CC2)c(Br)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 16/20 0.38
▸ CNR2 P34972 3/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ MBOAT4 Q96T53 1/20 0.33

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
SCHEMBL26615762 1.00 SCN10A (0.38) SCN10ACNR2CNR1MBOAT4
SCHEMBL30631474 0.86 MBOAT4 (0.40) SCN10ACNR2MBOAT4
SCHEMBL26738452 0.86 SCN10A (0.41) SCN10ACNR2CNR1
SCHEMBL26615699 0.86 MBOAT4 (0.40) SCN10ACNR2MBOAT4
SCHEMBL26615927 0.85 SCN10A (0.38) SCN10A
SCHEMBL26615928 0.84 SCN10A (0.38) SCN10A
SCHEMBL26615947 0.82 KDM4E (0.39) SCN10ACNR2CNR1
SCHEMBL26615889 0.81 SCN10A (0.47) SCN10A
SCHEMBL30593108 0.79 SCN10A (0.41) SCN10AMBOAT4
SCHEMBL26608619 0.79 SCN10A (0.41) SCN10AMBOAT4

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-119677737-A Heteroaryl compounds for the treatment of pain 沃泰克斯药物股份有限公司 2025-03-21 — — CN disclosed
Send feedback