SCHEMBL9059993

SCHEMBL9059993

CCN1CCN(C(=N)Nc2ccccc2-c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.57
ALDH1A1 P00352 9/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ATM Q13315 1/20 0.48
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL9059302 0.86 MAPK1 (0.52) CHRM3ALDH1A1SMN1; SMN2NCOA3KMT2A
SCHEMBL9059781 0.85 CHRM3 (0.53) CHRM3ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9536765 0.84 CHRM3 (0.44) CHRM3ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9061351 0.82 ALDH1A1 (0.61) CHRM3ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL9059939 0.80 ALDH1A1 (0.64) CHRM3ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL9060557 0.80 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL9059364 0.79 ALDH1A1 (0.48) CHRM3ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL9311226 0.79 ALDH1A1 (0.63) CHRM3ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL9062677 0.79 CHRM3 (0.46) CHRM3ALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL9060090 0.79 ALDH1A1 (0.50) CHRM3ALDH1A1SMN1; SMN2KDM4EKMT2A

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
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
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