SCHEMBL9059461

SCHEMBL9059461

COC1CCN(C(=N)Nc2ccccc2-c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.54
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL9540185 0.91 CHRM3 (0.47) CHRM3MEN1ALDH1A1KMT2AATM
SCHEMBL9059476 0.87 CHRM3 (0.47) CHRM3MEN1ALDH1A1KMT2AATM
SCHEMBL9059939 0.85 ALDH1A1 (0.64) CHRM3MEN1ALDH1A1KMT2AATM
SCHEMBL9059897 0.83 ALDH1A1 (0.49) CHRM3MEN1ALDH1A1KMT2AATM
SCHEMBL9060090 0.81 ALDH1A1 (0.50) CHRM3MEN1ALDH1A1KMT2AATM
SCHEMBL9059243 0.80 ALDH1A1 (0.46) CHRM3MEN1ALDH1A1KMT2AATM
SCHEMBL9059781 0.79 CHRM3 (0.53) CHRM3MEN1ALDH1A1KMT2AATM
SCHEMBL9061351 0.79 ALDH1A1 (0.61) CHRM3MEN1ALDH1A1KMT2AATM
SCHEMBL9059796 0.78 ALDH1A1 (0.50) CHRM3MEN1ALDH1A1KMT2AATM
SCHEMBL9311578 0.77 ALDH1A1 (0.44) CHRM3MEN1ALDH1A1KMT2AATM

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