SCHEMBL9059079

SCHEMBL9059079

N=C(Nc1ccccc1-c1ccccc1)N1CCC(=NO)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 2/20 0.42
ATM Q13315 1/20 0.41
CHRM3 P20309 4/20 0.40
CHRM2 P08172 2/20 0.40
CHRM1 P11229 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
TSHR P16473 1/20 0.39
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL9539982 0.92 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9311578 0.84 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9059434 0.83 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9061351 0.81 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9311226 0.78 ALDH1A1 (0.63) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9059781 0.78 CHRM3 (0.53) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9059364 0.78 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9059897 0.77 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9059105 0.77 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9059993 0.76 CHRM3 (0.57) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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