SCHEMBL9063069

SCHEMBL9063069

CC(C)(O)CN1CCNC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.36
ALDH1A1 P00352 1/20 0.32
CHRM5 P08912 2/20 0.32
CHRM3 P20309 2/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1088109 0.86 SIGMAR1 (0.42) SIGMAR1ALDH1A1CHRM5CHRM3CHRM2
Hydrochloric Acid SCHEMBL571818 0.84 SIGMAR1 (0.41) SIGMAR1ALDH1A1CHRM5CHRM3CHRM2
Hydrochloric Acid SCHEMBL572488 0.84 SIGMAR1 (0.41) SIGMAR1ALDH1A1CHRM5CHRM3CHRM2
SCHEMBL19021173 0.82 SIGMAR1 (0.38) SIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL13632306 0.79 CXCR4 (0.47) SIGMAR1ALDH1A1CHRM5CHRM3CHRM2
SCHEMBL31680707 0.74
SCHEMBL7749399 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3974524 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL15733975 0.73 POLB (0.31) SMN1; SMN2
SCHEMBL2959530 0.71 SIGMAR1 (0.44) SIGMAR1ALDH1A1CHRM5CHRM3CHRM2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP claimed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP claimed
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
US-5373008-A Phenylamidine and phenylguanidine derivatives and their use as anti-diabetic agents THE BOOTS COMPANT PLC. (GB) 1994-12-13 US disclosed
US-5223498-A Hypoglycemic agents THE BOOTS COMPANY PLC (GB) 1993-06-29 US disclosed
EP-0385038-B1 ORTHO-SUBSTITUTED PHENYL AMIDINE AND PHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM The Boots Company PLC (GB) 1993-06-02 EP disclosed
EP-0385038-A1 Ortho-substituted phenyl amidine and phenyl guanidine derivatives and antidiabetic or hypoglycaemic agents containing them The Boots Company PLC (GB) 1990-09-05 EP disclosed