SCHEMBL7288345

SCHEMBL7288345

O=C(CN1CCN(Cc2ccccc2)CC1)N[C@@H](Cc1cccc2ccccc12)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
SIGMAR1 Q99720 1/20 0.56
BRS3 P32247 1/20 0.56
KDM4E B2RXH2 2/20 0.56
NPFFR1 Q9GZQ6 8/20 0.55
NPFFR2 Q9Y5X5 8/20 0.55
HRH4 Q9H3N8 1/20 0.55
OPRM1 P35372 1/20 0.54
OPRD1 P41143 1/20 0.54
OPRK1 P41145 1/20 0.54
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL7275612 0.86 TACR1 (0.58) ALDH1A1MEN1KMT2AKDM4EHRH4
SCHEMBL7272341 0.85 SMN1; SMN2 (0.55) ALDH1A1MEN1KMT2AKDM4ENPFFR1
SCHEMBL3659514 0.80 HRH4 (0.64) MEN1KMT2AHRH4
SCHEMBL8671111 0.80 HRH4 (0.64) MEN1KMT2AHRH4
SCHEMBL7295260 0.79 DRD3 (0.60) ALDH1A1MEN1KMT2AKDM4EOPRM1
SCHEMBL3662085 0.78 HRH4 (0.60) MEN1KMT2AHRH4
SCHEMBL3662089 0.78 HRH4 (0.60) MEN1KMT2AHRH4
SCHEMBL8671488 0.78 HRH4 (0.60) MEN1KMT2AHRH4OPRD1
SCHEMBL29078430 0.77 ALDH1A1 (0.73) ALDH1A1MEN1KMT2ASIGMAR1KDM4E
SCHEMBL30585259 0.77 ALDH1A1 (0.73) ALDH1A1MEN1KMT2ASIGMAR1KDM4E

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