SCHEMBL14939744

SCHEMBL14939744

Cc1ccc(CN2CCN(C3(c4ccccc4)Cc4cc(F)ccc4C3=O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPK1 P28482 1/20 0.43
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CXCR3 P49682 1/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38

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
SCHEMBL14939880 0.93 NPSR1 (0.52) NPSR1MEN1KMT2ADRD2HTR2A
SCHEMBL14939854 0.90 CHRM2 (0.43) LMNANPSR1KDM4EALDH1A1DRD2
SCHEMBL14939526 0.90 NPSR1 (0.46) LMNAPOLBNPSR1MEN1KMT2A
SCHEMBL14938869 0.89 SIGMAR1 (0.48) NPSR1DRD2HTR2AHTR2CHTR2B
SCHEMBL14939400 0.89 NPSR1 (0.52) LMNAPOLBNPSR1MEN1KMT2A
SCHEMBL14939129 0.88 NPSR1 (0.46) LMNAPOLBNPSR1MEN1KMT2A
SCHEMBL14939844 0.88 NPSR1 (0.45) LMNAPOLBNPSR1MEN1KMT2A
SCHEMBL14940059 0.88 NPSR1 (0.49) NPSR1ALDH1A1MAPK1DRD2HTR2A
SCHEMBL14940048 0.86 ALDH1A1 (0.44) LMNANPSR1MEN1KMT2AKDM4E
SCHEMBL14939556 0.85 NPSR1 (0.53) NPSR1MEN1KMT2ADRD2HTR2A

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
WO-2013068785-A1 INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-16 WO claimed
WO-2013068785-A1 INDANONE AND INDANDIONE DERIVATIVES AND HETEROCYCLIC ANALOGS ACTELION PHARMACEUTICALS LTD (CH) 2013-05-16 WO disclosed