SCHEMBL9059673

SCHEMBL9059673

N=C(Nc1ccccc1-c1cccc(F)c1)N1CCC(O)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 16/20 0.49
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
LRRK2 Q5S007 1/20 0.40
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 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
SCHEMBL9059607 0.86 CHRM3 (0.47) CHRM3MEN1ALDH1A1KMT2AATM
SCHEMBL9059897 0.86 ALDH1A1 (0.49) CHRM3CHRM2CHRM1MEN1ALDH1A1
SCHEMBL9060154 0.84 CHRM3 (0.47) CHRM3CHRM2CHRM1MEN1ALDH1A1
SCHEMBL9059856 0.84 CHRM3 (0.53) CHRM3DRD2DRD4DRD3ALDH1A1
SCHEMBL9311426 0.84 CHRM3 (0.51) CHRM3DRD2DRD4DRD3CHRM2
SCHEMBL9537814 0.82 CHRM3 (0.50) CHRM3DRD2DRD4DRD3CHRM2
SCHEMBL9059576 0.82 CHRM3 (0.44) CHRM3NPC1MEN1ALDH1A1KMT2A
SCHEMBL9059243 0.80 ALDH1A1 (0.46) CHRM3CHRM2CHRM1MEN1ALDH1A1
SCHEMBL9538982 0.76 CHRM3 (0.47) CHRM3ALDH1A1KMT2A
Fumaric Acid SCHEMBL9312680 0.74 KDM4E (0.45) CHRM3NPC1MEN1ALDH1A1KMT2A

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