SCHEMBL24790924

SCHEMBL24790924

C=CCCC(C(=O)NC)N1Cc2cc(C3CCN(Cc4cccnc4)CC3)ccc2C1=C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ TRPV6 Q9H1D0 2/20 0.37
▸ TLR9 Q9NR96 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ DRD4 P21917 1/20 0.36
▸ CACNA1I Q9P0X4 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ IKZF2 Q9UKS7 1/20 0.35
▸ CXCR4 P61073 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ UBE2M P61081 2/20 0.35
▸ DCUN1D1 Q96GG9 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ PARP2 Q9UGN5 1/20 0.35
▸ CCR5 P51681 2/20 0.35
▸ NAMPT P43490 1/20 0.34

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
SCHEMBL24790325 0.87 DRD2 (0.39) DRD4CACNA1IIKZF2CCR5
SCHEMBL24790866 0.86 DRD2 (0.39) ALDH1A1CCR5
SCHEMBL25618774 0.80 IKZF2 (0.32) IKZF2
SCHEMBL25619901 0.80 IKZF1 (0.35) DRD4KMT2ACXCR4PARP1PARP2
SCHEMBL24789054 0.79 DRD4 (0.32) DRD4
SCHEMBL24790237 0.79 HRH3 (0.37) DRD4NAMPT
SCHEMBL25625115 0.78 AKT1 (0.36) KMT2ACCR5
SCHEMBL24790326 0.78 IKZF1 (0.43) KDM4ESIGMAR1KMT2AIKZF2ALDH1A1
SCHEMBL25996614 0.77 IKZF2 (0.33) KDM4EIKZF2ALDH1A1NAMPT
SCHEMBL24790875 0.76 PRKAA2 (0.35) TLR9TLR7CHRM4

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
EP-3672949-B1 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2022-12-21 — — EP disclosed
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