SCHEMBL7303413

SCHEMBL7303413

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
ESR1 P03372 3/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ENPP2 Q13822 3/20 0.46
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
USP2 O75604 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALOX15 P16050 1/20 0.45
TP53 P04637 1/20 0.45
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL7303729 0.85 HTR1A (0.64) HTR1ADRD2HTR2A
SCHEMBL7308372 0.85 AR (0.57) MAPTESR1HTR1ADRD2HTR2A
SCHEMBL7302783 0.82 MAPT (0.70) MAPTESR1HTR1AALDH1A1SMN1; SMN2
SCHEMBL7301705 0.81 LMNA (0.61) MAPTHTR1ADRD2HTR2AALDH1A1
SCHEMBL7300140 0.71 FABP4 (0.68) HTR1ADRD2HTR2AALDH1A1TSHR
SCHEMBL7306583 0.70 HTR1A (0.70) HTR1ADRD2HTR2ALMNA
SCHEMBL3210388 0.70 DRD2 (0.59) MAPTHTR1ADRD2HTR2ALMNA
SCHEMBL7306335 0.69 HSD17B10 (0.56) MAPTALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL11785627 0.69 PARP1 (0.49) MAPTALDH1A1LMNA
SCHEMBL7297796 0.69 HTR1A (0.68) HTR1ADRD2HTR2A

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