SCHEMBL7288443

SCHEMBL7288443

[CH](c1ccncc1)N1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 2/20 0.52
ADRB2 P07550 1/20 0.52
NCF1 P14598 1/20 0.52
SLC6A4 P31645 1/20 0.41
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CSNK1D P48730 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
HPGD P15428 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL949805 0.81 SIGMAR1 (0.50) PLD1SLC6A4HPGDHTR3EHTR3B
SCHEMBL1631738 0.78 CHRNB2 (0.47) SLC6A4JUNNFKB1CYP3A4CYP2D6
SCHEMBL27811539 0.72 HTR6 (0.40) HPGDSIGMAR1MAPTCYP2C9CYP2C19
SCHEMBL12431850 0.71 ADRB2 (0.70) PLD1ADRB2NCF1HTR3EHTR3B
SCHEMBL3588114 0.69 PLD1 (0.48) PLD1ADRB2NCF1SLC6A4CYP3A4
SCHEMBL9080474 0.69 JUN (0.46) PLD1ADRB2NCF1JUNNFKB1
SCHEMBL7503359 0.69 ADRB1 (0.53) SLC6A4ADRB1HTR3ASIGMAR1ALDH1A1
SCHEMBL3593807 0.69 PLD1 (0.53) PLD1ADRB2NCF1SLC6A4CYP3A4
SCHEMBL11472516 0.68 JUN (0.58) JUNNFKB1HPGDALDH1A1MAPT
SCHEMBL11472515 0.68 JUN (0.58) JUNNFKB1HPGDALDH1A1MAPT

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-5378690-A Treatment of angiotensin induced hypertension SANKYO COMPANY, LIMITED (JP) 1995-01-03 US disclosed
EP-0274259-A2 New renin-inhibitory oligopeptides, their preparaton and their use Sankyo Company Limited (JP) 1988-07-13 EP disclosed