SCHEMBL13283963

SCHEMBL13283963

Cc1ccccc(C)c(CN2CCC(N3CCN(Cc4ccnc5ccccc45)CC3)CC2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RAD52 P43351 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ACHE P22303 1/20 0.45
▸ FAAH O00519 2/20 0.44
▸ CHRM1 P11229 5/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM5 P08912 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ OPRM1 P35372 1/20 0.43

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
SCHEMBL3705464 0.89 ALDH1A1 (0.63) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL3709108 0.83 SMN1; SMN2 (0.60) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL3718164 0.82 SMN1; SMN2 (0.58) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL3706529 0.79 ALDH1A1 (0.57) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL14375211 0.76 ACHE (0.62) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL3709485 0.74 FAAH (0.50) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL8821312 0.73 KDM4E (0.62) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL14980282 0.73 SMN1; SMN2 (0.69) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL3707768 0.72 TSHR (0.51) KDM4EALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL3707708 0.72 TSHR (0.51) KDM4EALDH1A1LMNASMN1; SMN2NPSR1

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-2010081851-A1 PIPERIDIN-4-YLPIPERAZINE COMPOUNDS FOR THE TREATMENT OF HCV INFECTION GENOSCIENCE PHARMA (FR) 2010-07-22 — — WO disclosed
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