SCHEMBL30423914

SCHEMBL30423914

Nc1nc(OC2CCOCC2)cc(N2CCC3(CCCC(=O)N3c3ccc(F)c(F)c3)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.37
TPH1 P17752 3/20 0.33
EP300 Q09472 3/20 0.33
AKT1 P31749 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
RAF1 P04049 3/20 0.31
BRAF P15056 3/20 0.31
CDK1 P06493 1/20 0.30
CDK2 P24941 1/20 0.30
BRD4 O60885 2/20 0.30
CREBBP Q92793 2/20 0.30
BRD2 P25440 1/20 0.30
BRD3 Q15059 1/20 0.30
BRDT Q58F21 1/20 0.30
BRD9 Q9H8M2 1/20 0.30
GPR119 Q8TDV5 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 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
SCHEMBL24253951 1.00 PDE10A (0.37) PDE10ATPH1EP300AKT1PIK3CA
SCHEMBL30423993 0.92 TPH1 (0.34) PDE10ATPH1EP300
SCHEMBL30423590 0.91 TPH1 (0.32) PDE10ATPH1EP300AKT1PIK3CA
SCHEMBL24253856 0.91 TPH1 (0.32) PDE10ATPH1EP300AKT1PIK3CA
SCHEMBL24253559 0.89 TPH1 (0.32) TPH1EP300
SCHEMBL30494535 0.89 TPH1 (0.32) TPH1EP300
SCHEMBL24253623 0.89 TPH1 (0.35) TPH1EP300
SCHEMBL30424401 0.89 TPH1 (0.35) TPH1EP300
SCHEMBL24253653 0.88 PDE10A (0.41) PDE10AEP300AKT1PIK3CATRPV4
SCHEMBL30423903 0.88 PDE10A (0.41) PDE10AEP300AKT1PIK3CATRPV4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4196478-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2023-06-21 EP claimed
CN-116157404-A Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof 诺华股份有限公司 2023-05-23 CN claimed
EP-4196478-A1 HETEROARYL SUBSTITUTED SPIROPIPERIDINYL DERIVATIVES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2023-06-21 EP disclosed
CN-116157404-A Heteroaryl substituted spiropiperidinyl derivatives and pharmaceutical uses thereof 诺华股份有限公司 2023-05-23 CN disclosed