SCHEMBL14938722

SCHEMBL14938722

CCc1ccccc1CN1CCN(C2(c3cc(C)nc(C)c3)C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.53
MAPT P10636 4/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
ADAM17 P78536 4/20 0.40
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.37
HTR7 P34969 1/20 0.37
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
PHGDH O43175 1/20 0.35

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
SCHEMBL14940282 0.93 NPSR1 (0.51) NPSR1MAPTLMNATP53ADAM17
SCHEMBL14939374 0.91 NPSR1 (0.53) NPSR1MAPTLMNATP53ADAM17
SCHEMBL14939726 0.91 NPSR1 (0.47) NPSR1MAPTLMNATP53ADAM17
SCHEMBL14939879 0.89 NPSR1 (0.53) NPSR1MAPTLMNATP53ADAM17
SCHEMBL14939199 0.88 NPSR1 (0.55) NPSR1MAPTLMNATP53ALDH1A1
SCHEMBL14938836 0.88 NPSR1 (0.50) NPSR1MAPTLMNATP53ADAM17
SCHEMBL14939026 0.87 NPSR1 (0.47) NPSR1MAPTLMNATP53ADAM17
SCHEMBL14939760 0.87 NPSR1 (0.49) NPSR1MAPTALDH1A1KMT2AHTR7
SCHEMBL14939602 0.87 NPSR1 (0.46) NPSR1MAPTLMNATP53ADAM17
SCHEMBL14939533 0.86 NPSR1 (0.73) NPSR1MAPTLMNAADAM17ALDH1A1

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