SCHEMBL30423965

SCHEMBL30423965

O=C1CCCC2(CCN(c3cc(OC4CCOCC4)n[nH]c3=O)CC2)N1c1ccc(F)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 3/20 0.32
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAOB P27338 2/20 0.30
LMNA P02545 1/20 0.30
MAOA P21397 1/20 0.30
PTGS1 P23219 1/20 0.30
CALML3 P27482 1/20 0.30
SDHA P31040 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

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
SCHEMBL24253508 1.00 EP300 (0.32) EP300TNKSTNKS2ALDH1A1GAA
SCHEMBL24253855 0.85 EP300 (0.34) EP300BRD4CREBBPBRD2BRD3
SCHEMBL30423647 0.85 EP300 (0.34) EP300BRD4CREBBPBRD2BRD3
SCHEMBL24253950 0.82 GPR119 (0.36) EP300
SCHEMBL24253847 0.81 ADRA1D (0.33) HTR1ADRD2ADRA1DADRA1AADRA1B
SCHEMBL30423914 0.81 PDE10A (0.37) EP300MAPTBRD4CREBBPBRD2
SCHEMBL24253951 0.81 PDE10A (0.37) EP300MAPTBRD4CREBBPBRD2
SCHEMBL24253519 0.81 HCRTR1 (0.33) ALDH1A1GAAMAPTALOX15ALOX12
SCHEMBL24253607 0.80 HTR1A (0.35) MAPTHTR1ADRD2ADRA1DADRA1A
SCHEMBL24253653 0.79 PDE10A (0.41) EP300

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-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