SCHEMBL7302783

SCHEMBL7302783

O=C(CCCn1c(=O)[nH]c(=O)c2ccccc21)N1CCN(c2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.70
NPSR1 Q6W5P4 3/20 0.57
LMNA P02545 2/20 0.57
PARP1 P09874 1/20 0.55
KDM4E B2RXH2 2/20 0.55
HSD17B10 Q99714 2/20 0.55
HTR7 P34969 3/20 0.54
HTR1A P08908 1/20 0.54
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
GAA P10253 2/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
ESR1 P03372 3/20 0.53
ALDH1A1 P00352 2/20 0.52
CYP2D6 P10635 1/20 0.52
USP2 O75604 1/20 0.52

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
SCHEMBL7308372 0.85 AR (0.57) MAPTNPSR1LMNAHSD17B10HTR1A
SCHEMBL7297432 0.83 HTR7 (0.74) PARP1HTR7HTR1A
SCHEMBL7303413 0.82 MAPT (0.49) MAPTNPSR1LMNAHSD17B10HTR1A
SCHEMBL7301705 0.81 LMNA (0.61) MAPTNPSR1LMNAKDM4EHSD17B10
SCHEMBL7300140 0.80 FABP4 (0.68) PARP1KDM4EHSD17B10HTR1AALDH1A1
SCHEMBL30427936 0.75 PARP1 (0.59) MAPTNPSR1LMNAPARP1KDM4E
SCHEMBL12822508 0.75 PARP1 (0.59) MAPTNPSR1LMNAPARP1KDM4E
SCHEMBL7306335 0.75 HSD17B10 (0.56) MAPTNPSR1LMNAPARP1KDM4E
SCHEMBL13799882 0.74 FABP4 (0.66) MAPTPARP1KDM4EALDH1A1HPGD
SCHEMBL7298835 0.74 KDM4E (0.53) MAPTNPSR1PARP1KDM4EHSD17B10

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
US-5304560-A Treating CNS disorders; dopamine receptor antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-19 US disclosed
EP-0481342-A1 Quinazoline derivatives and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed