SCHEMBL9059940

SCHEMBL9059940

CN1CCN(C(=N)Nc2cc(F)ccc2-c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.48
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.40
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 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
SCHEMBL9536114 0.96 CHRM3 (0.47) CHRM3KDM4EALDH1A1CHRM2CHRM1
SCHEMBL9059333 0.90 CHRM3 (0.52) CHRM3KDM4ECHRM2CHRM1DRD2
SCHEMBL9059781 0.84 CHRM3 (0.53) CHRM3KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL9060154 0.84 CHRM3 (0.47) CHRM3KDM4EALDH1A1CHRM2CHRM1
SCHEMBL9059856 0.84 CHRM3 (0.53) CHRM3KDM4EALDH1A1DRD2DRD4
SCHEMBL9059545 0.82 MAPT (0.45) CHRM3KDM4EALDH1A1NPC1RAB9A
SCHEMBL9537814 0.80 CHRM3 (0.50) CHRM3CHRM2CHRM1DRD2DRD4
SCHEMBL9059166 0.78 CHRM3 (0.52) CHRM3KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL9060028 0.75 MAPT (0.45) CHRM3KDM4EALDH1A1CHRM1NPC1
SCHEMBL9059409 0.75 CHRM3 (0.47) CHRM3KDM4EALDH1A1KDM1AMAOA

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