Sugi Predict

Sugi Predict / Compounds / SCHEMBL30693187

SCHEMBL30693187

SCHEMBL30693187

Cc1cc(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccc(F)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 3/20 0.46
▸ TACR1 P25103 12/20 0.45
▸ PDE4B Q07343 2/20 0.42
▸ FPR1 P21462 1/20 0.41
▸ FPR2 P25090 1/20 0.41
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ KDR P35968 1/20 0.39

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
SCHEMBL1968280 1.00 RORC (0.46) RORCTACR1PDE4BFPR1FPR2
SCHEMBL30693163 0.95 TACR1 (0.49) RORCTACR1PDE4BFPR1FPR2
SCHEMBL1970588 0.95 TACR1 (0.49) RORCTACR1PDE4BFPR1FPR2
SCHEMBL30693160 0.95 TACR1 (0.49) RORCTACR1PDE4BFPR1FPR2
SCHEMBL1968872 0.95 TACR1 (0.49) RORCTACR1PDE4BFPR1FPR2
SCHEMBL1972466 0.95 TACR1 (0.49) RORCTACR1PDE4BFPR1FPR2
SCHEMBL1966861 0.90 RORC (0.45) RORCTACR1PDE4BFPR1FPR2
SCHEMBL1968060 0.90 RORC (0.45) RORCTACR1PDE4BFPR1FPR2
SCHEMBL15397487 0.88 TACR1 (0.43) TACR1FPR1FPR2KDR
SCHEMBL1968672 0.87 TACR1 (0.49) RORCTACR1FPR1FPR2HDAC1

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
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 — — US disclosed