SCHEMBL7512128

SCHEMBL7512128

N=C(Nc1ccc2c(c1)C(CC(=O)N1CCOCC1)NCC2)c1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
KMT2A Q03164 7/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.39
HPGDS O60760 1/20 0.39
MEN1 O00255 6/20 0.39
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
KLKB1 P03952 1/20 0.38
PRSS1 P07477 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL7510978 0.92 OPRM1 (0.42) OPRM1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7516653 0.91 OPRM1 (0.43) OPRM1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7511195 0.84 F2 (0.47) KMT2ANPC1RAB9ASMN1; SMN2TP53
Hydrochloric Acid SCHEMBL7508858 0.83 F2 (0.46) KMT2ANPC1RAB9ASMN1; SMN2TP53
SCHEMBL7506656 0.82 F2 (0.43) KMT2ANPC1RAB9ASMN1; SMN2TP53
SCHEMBL7516238 0.80 SMN1; SMN2 (0.44) OPRM1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7512135 0.80 NOS1 (0.50)
SCHEMBL7511393 0.80 F2 (0.42) OPRM1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL7510733 0.80 F2 (0.37) KMT2ANPC1RAB9ASMN1; SMN2TP53
SCHEMBL7506678 0.79 F2 (0.43) OPRM1KMT2ANPC1RAB9ASMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861250-B1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-02-13 EP claimed
EP-0861250-B1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-02-13 EP disclosed
US-6140322-A Amidine and isothiourea derivatives as inhibitors of nitric oxide synthase ASTRA AKTIEBOLAG (SE) 2000-10-31 US disclosed
US-5929085-A Amidine and isothiourea derivatives, compositions containing them and their use as inhibitors of nitric oxide synthase ASTRA AKTIEBOLAG (SE) 1999-07-27 US disclosed