SCHEMBL14775605

SCHEMBL14775605

O=c1[nH]c(=O)n(CCCCN2CCC(c3c[nH]c4ccccc34)CC2)c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.64
SLC6A4 P31645 1/20 0.63

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
Hydrochloric Acid SCHEMBL7649530 0.99 ADRA1D (0.65) ADRA1DSLC6A4
SCHEMBL464522 0.98 ADRA1D (0.65) ADRA1DSLC6A4
SCHEMBL11037320 0.92 ADRA1D (0.67) ADRA1DSLC6A4
SCHEMBL11038647 0.91 ADRA1D (0.69) ADRA1DSLC6A4
SCHEMBL11037991 0.91 ADRA1D (0.69) ADRA1DSLC6A4
SCHEMBL11038162 0.89 ADRA1D (0.68) ADRA1DSLC6A4
Hydrochloric Acid SCHEMBL11037928 0.88 ADRA1D (0.69) ADRA1DSLC6A4
SCHEMBL11047479 0.85 ADRA1D (0.61) ADRA1DSLC6A4
Hydrochloric Acid SCHEMBL7259157 0.81 ADRA1D (0.90) ADRA1DSLC6A4
SCHEMBL11245089 0.80 ADRA1D (0.67) ADRA1DSLC6A4

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
EP-1763523-B1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-03-20 EP claimed
EP-1763523-B1 QUINAZOLINEDIONE DERIVATIVES AS PARP INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-03-20 EP disclosed