SCHEMBL9059367

SCHEMBL9059367

NC(=Nc1ccccc1-c1ccccc1)N1CCSCC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.46
DPP4 P27487 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
PRKDC P78527 1/20 0.34
TPH1 P17752 1/20 0.34
BCAT2 O15382 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL9061357 0.85 SIGMAR1 (0.60) SIGMAR1TSHRRECQLNPC1ALDH1A1
SCHEMBL9059786 0.82 SIGMAR1 (0.46) SIGMAR1
SCHEMBL9311235 0.82 SIGMAR1 (0.46) SIGMAR1TSHRNPC1ALDH1A1RAB9A
SCHEMBL9059900 0.81 SIGMAR1 (0.49) SIGMAR1NPC1RAB9A
SCHEMBL9059436 0.81 SIGMAR1 (0.44) SIGMAR1TSHRRECQLTPH1BCAT2
SCHEMBL9059310 0.80 SIGMAR1 (0.43) SIGMAR1TSHRRECQLTPH1BCAT2
SCHEMBL9059944 0.80 SIGMAR1 (0.48) SIGMAR1ALDH1A1RAB9A
SCHEMBL9059108 0.80 SIGMAR1 (0.47) SIGMAR1TSHRRECQLTPH1BCAT2
SCHEMBL9059081 0.80 SIGMAR1 (0.43) SIGMAR1TSHRRECQLTPH1BCAT2
SCHEMBL9059304 0.79 NCOA3 (0.50) SIGMAR1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996017612-A1 USE OF SUBSTITUTED PHENYLAMIDINE AND PHENYLGUANIDINE COMPOUNDS FOR THE TREATMENT OF CEREBRAL AND CARDIAC ISCHAEMIA, CONVULSION AND SICKLE CELL ANAEMIA KNOLL AKTIENGESELLSCHAFT (DE) 1996-06-13 WO disclosed
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