SCHEMBL9310798

SCHEMBL9310798

COc1ccc(NC(=N)N2CCCCC2)c(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TRPV1 Q8NER1 2/20 0.44
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
CHRM3 P20309 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9539987 0.89 CHRM3 (0.44) NPC1RAB9ATRPV1ALDH1A1GAA
SCHEMBL9061351 0.80 ALDH1A1 (0.61) ALDH1A1GAASMN1; SMN2KMT2AMEN1
Iodide SCHEMBL11173333 0.79 RAB9A (0.45) NPC1RAB9AALDH1A1GAAHTT
SCHEMBL9311630 0.78 EPHX1 (0.49) NPC1RAB9AALDH1A1HTTSMN1; SMN2
SCHEMBL9059622 0.76 ALDH1A1 (0.45) ALDH1A1GAAHTTSMN1; SMN2KMT2A
SCHEMBL16438566 0.76 ALDH1A1 (0.53) NPC1RAB9AALDH1A1GAAHTT
SCHEMBL18415466 0.76 ALDH1A1 (0.53) NPC1RAB9AALDH1A1GAAHTT
Hydrochloric Acid SCHEMBL9311505 0.75 ALDH1A1 (0.44) ALDH1A1GAAHTTSMN1; SMN2KMT2A
SCHEMBL17206120 0.74 HSD17B1 (0.55) ALDH1A1GAAHTTSMN1; SMN2KMT2A
SCHEMBL11093767 0.74 SMN1; SMN2 (0.68) NPC1RAB9AALDH1A1GAASMN1; 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-0536151-B1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM BOOTS CO PLC (GB) 1994-09-14 EP disclosed
US-5302720-A Biphenyl-substituted guanidine derivatives useful as hypoglycaemic agents THE BOOTS COMPANY (GB) 1994-04-12 US disclosed
EP-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed
WO-1992000273-A1 ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM THE BOOTS COMPANY PLC (GB) 1992-01-09 WO disclosed