SCHEMBL10202533

SCHEMBL10202533

CC(C)COc1cc(N2CCN(C(=O)C3CC(c4ccccc4)=NN3C)CC2)ncn1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CPT2 P23786 2/20 0.38
▸ CPT1A P50416 2/20 0.38
▸ CPT1B Q92523 1/20 0.38
▸ HRH4 Q9H3N8 2/20 0.37
▸ CHRM4 P08173 6/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ CKS1B P61024 4/20 0.35
▸ SKP1 P63208 4/20 0.35
▸ SKP2 Q13309 4/20 0.35
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ ELOVL1 Q9BW60 1/20 0.34
▸ CHRM2 P08172 2/20 0.34
▸ CHRM5 P08912 2/20 0.34
▸ CHRM1 P11229 2/20 0.34
▸ CHRM3 P20309 2/20 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
SCHEMBL622833 0.75 LOXL2 (0.43) CHRM4LOXL2
SCHEMBL623692 0.75 HRH4 (0.47) HRH4KDM4EHSD17B10LOXL2LRRK2
SCHEMBL623270 0.75 CYP1A2 (0.48) HRH4
SCHEMBL622712 0.75 HPGD (0.49) CHRM4LRRK2CHRM2CHRM5CHRM1
SCHEMBL624199 0.75 CYP1A2 (0.48) HRH4KDM4ELOXL2
SCHEMBL15025401 0.75 RET (0.46) KDM4E
SCHEMBL624464 0.75 KMT2A (0.54) CPT2CPT1ACPT1BKDM4E
SCHEMBL624235 0.75 RET (0.46) KDM4E
SCHEMBL624236 0.75 RET (0.46) KDM4E
SCHEMBL624208 0.74 SCD5 (0.57) —

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-2012020567-A1 ACYL PIPERAZINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-02-16 — — WO disclosed
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