SCHEMBL14939983

SCHEMBL14939983

Cc1ccccc1CN1CCN(C2(c3ccncc3C)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
KMT2A Q03164 3/20 0.44
TRPC5 Q9UL62 3/20 0.42
CYP2A13 Q16696 1/20 0.40
LMNA P02545 3/20 0.40
ACHE P22303 1/20 0.40
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL14940375 0.87 NPSR1 (0.52) NPSR1KMT2ATRPC5CYP2A13LMNA
SCHEMBL14939517 0.85 NPSR1 (0.57) FABP6NPSR1KMT2ATRPC5CYP2A13
SCHEMBL14939951 0.85 NPSR1 (0.54) FABP6NPSR1KMT2ATRPC5CYP2A13
SCHEMBL14939664 0.85 FABP6 (0.47) FABP6NPSR1KMT2ATRPC5CYP2A13
SCHEMBL14939310 0.82 NPSR1 (0.46) FABP6NPSR1KMT2ATRPC5CYP2A13
SCHEMBL14938959 0.81 NPSR1 (0.48) FABP6NPSR1KMT2ATRPC5CYP2A13
SCHEMBL14939324 0.80 NPSR1 (0.48) FABP6NPSR1KMT2ATRPC5CYP2A13
SCHEMBL14940196 0.80 NPSR1 (0.70) NPSR1KMT2ACYP2A13LMNAACHE
SCHEMBL14940147 0.80 NPSR1 (0.50) FABP6NPSR1KMT2ATRPC5CYP2A13
SCHEMBL14939417 0.78 NPSR1 (0.60) NPSR1KMT2ACYP2A13LMNAACHE

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