SCHEMBL9059166

SCHEMBL9059166

Cc1ccc(NC(=N)N2CCN(C)CC2)c(-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 7/20 0.52
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
KDM4E B2RXH2 3/20 0.43
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
HTR3A P46098 1/20 0.40
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.39
MAP3K7 O43318 1/20 0.39
FLT3 P36888 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HTT P42858 1/20 0.39
MET P08581 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL9059333 0.86 CHRM3 (0.52) CHRM3KDM4E
SCHEMBL9059781 0.85 CHRM3 (0.53) CHRM3ALDH1A1KMT2AMEN1KDM4E
SCHEMBL9059738 0.85 CHRM3 (0.50) CHRM3ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9060028 0.84 MAPT (0.45) CHRM3ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL9059940 0.78 CHRM3 (0.48) CHRM3ALDH1A1KDM4ESMN1; SMN2POLB
SCHEMBL9536114 0.78 CHRM3 (0.47) CHRM3ALDH1A1KMT2AMEN1KDM4E
SCHEMBL9059545 0.76 MAPT (0.45) CHRM3ALDH1A1KMT2AMEN1KDM4E
SCHEMBL6263678 0.76 HDAC7 (0.45) CHRM3ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9536765 0.76 CHRM3 (0.44) CHRM3ALDH1A1KMT2AMEN1KDM4E
SCHEMBL9059374 0.75 CHRNA7 (0.48) ALDH1A1THRBSMN1; SMN2CHRNA1CHRNA3

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