SCHEMBL9060426

SCHEMBL9060426

NC(=Nc1ccccc1-c1ccccc1)N1CCCC(O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.42
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.39
OPRK1 P41145 1/20 0.38
MEN1 O00255 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
SMARCA2 P51531 1/20 0.35
SMARCA4 P51532 1/20 0.35
PBRM1 Q86U86 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL9059245 0.92 SIGMAR1 (0.44) SIGMAR1OPRK1ALOX5APFEN1SMN1; SMN2
SCHEMBL9059672 0.85 CYP2D6 (0.46) SIGMAR1ALDH1A1KMT2ASMN1; SMN2CHRM2
SCHEMBL9059900 0.84 SIGMAR1 (0.49) SIGMAR1OPRK1SMN1; SMN2
SCHEMBL9059479 0.83 CHRNB2 (0.40) SIGMAR1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL9061357 0.82 SIGMAR1 (0.60) SIGMAR1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL9059944 0.77 SIGMAR1 (0.48) SIGMAR1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL9060099 0.76 SIGMAR1 (0.47) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9059625 0.75 SIGMAR1 (0.39) SIGMAR1ALDH1A1KDM4ETSHRRECQL
SCHEMBL9059465 0.74 SIGMAR1 (0.45) SIGMAR1OPRK1CHRM3
SCHEMBL9059612 0.74 SIGMAR1 (0.43) SIGMAR1ALDH1A1KMT2AKDM4EOPRK1

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