SCHEMBL29567387

SCHEMBL29567387

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2cccc(N3CCN(C)CC3)c2)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 12/20 0.41
▸ HTR1A P08908 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ RAD52 P43351 2/20 0.38
▸ CSF1R P07333 1/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ GUSB P08236 1/20 0.35
▸ JAK2 O60674 1/20 0.35

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
SCHEMBL26808857 1.00 GPR119 (0.41) GPR119HTR1AHTR2AHTR2CHTR7
SCHEMBL24309388 0.93 JAK2 (0.38) GPR119RAD52CSF1RBRD4JAK2
SCHEMBL29566880 0.93 JAK2 (0.38) GPR119RAD52CSF1RBRD4JAK2
SCHEMBL29567219 0.90 HTR7 (0.42) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL24309381 0.90 HTR7 (0.42) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL29567464 0.89 HTR1A (0.41) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL29566298 0.89 HTR2C (0.41) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL24310431 0.89 HTR2C (0.41) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL26808712 0.89 HTR7 (0.41) HTR1AHTR2AHTR2CHTR7DRD3
SCHEMBL26808930 0.89 HTR1A (0.41) HTR1AHTR2AHTR2CHTR7DRD3

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-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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