SCHEMBL30588779

SCHEMBL30588779

Cc1cccc(CC2CCCC2)c1-c1nc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)c1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ METAP2 P50579 1/20 0.31
▸ METAP1 P53582 1/20 0.31
▸ PDE9A O76083 1/20 0.30
▸ ACACB O00763 1/20 0.30
▸ ACACA Q13085 1/20 0.30
▸ CCR3 P51677 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ TAS1R3 Q7RTX0 1/20 0.30
▸ TAS1R1 Q7RTX1 1/20 0.30
▸ TAS1R2 Q8TE23 1/20 0.30

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
SCHEMBL26125431 1.00 HTR2C (0.33) HTR2CSLC6A4PIK3CDMETAP2METAP1
SCHEMBL24331179 0.92 GHSR (0.32) PIK3CD
SCHEMBL29515233 0.92 GHSR (0.32) PIK3CD
SCHEMBL29515085 0.85 LCK (0.31) PIK3CD
SCHEMBL24332233 0.85 LCK (0.31) PIK3CD
SCHEMBL29515209 0.85 LCK (0.33) —
SCHEMBL24331290 0.85 LCK (0.33) —
SCHEMBL24331390 0.84 ADORA3 (0.31) PIK3CD
SCHEMBL24332258 0.84 NQO2 (0.31) PIK3CD
SCHEMBL29515114 0.84 ADORA3 (0.31) PIK3CD

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
EP-4504739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2025-02-12 — — EP disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 — — WO disclosed
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