SCHEMBL25307357

SCHEMBL25307357

O=CCCCN1CCN(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.44
HTR1A P08908 3/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
TIPARP Q7Z3E1 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL9766008 0.84 SIGMAR1 (0.60) SIGMAR1HTR1AKDM4ECYP1A2GAA
SCHEMBL26129134 0.82 PPARG (0.46) PPARGPPARDPPARATIPARP
SCHEMBL25223898 0.82 SIGMAR1 (0.48) SIGMAR1HTR1AKDM4ECYP1A2GAA
SCHEMBL27233837 0.81 TIPARP (0.47) SIGMAR1HTR1APPARGPPARDPPARA
SCHEMBL26133414 0.81 SIGMAR1 (0.47) SIGMAR1HTR1APPARGPPARDPPARA
SCHEMBL24968330 0.80 PPARG (0.44) SIGMAR1HTR1APPARGPPARDPPARA
SCHEMBL17832213 0.79 OGA (0.43) PPARGPPARDPPARATIPARP
SCHEMBL26134112 0.79 SIGMAR1 (0.43) SIGMAR1HTR1APPARGPPARDPPARA
SCHEMBL25311331 0.78 HTR1A (0.47) HTR1ACYP1A2DRD2
SCHEMBL31464998 0.77 PPARG (0.48) SIGMAR1HTR1APPARGPPARDPPARA

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
WO-2023139536-A1 (4-PIPERAZIN-1YL)-4-ALKYL-PHTHALAZIN-1(2H)-ONE COMPOUNDS AS PARP7 INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 WO disclosed