SCHEMBL9060457

SCHEMBL9060457

COCCC1CCCN(C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
CHRM2 P08172 2/20 0.36
ADRA2A P08913 2/20 0.36
CHRM1 P11229 2/20 0.36
DRD1 P21728 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
ADRA1A P35348 2/20 0.36
OPRM1 P35372 2/20 0.36
DRD3 P35462 2/20 0.36
KCNH2 Q12809 2/20 0.36
HTR2A P28223 2/20 0.36
ABCB11 O95342 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36

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
SCHEMBL14019505 0.88 NCF1 (0.41) HRH3CHRM2CHRM1DRD3CHRM3
SCHEMBL19977816 0.83 KDM2B (0.40) KCNH2LMNAGBA1
SCHEMBL19977817 0.83 KDM2B (0.40) KCNH2LMNAGBA1
SCHEMBL19977841 0.83 KDM2B (0.40) KCNH2LMNAGBA1
SCHEMBL12886555 0.81 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL12886557 0.81 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL96929 0.81 CHRNB2 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL10245303 0.81 KCNH2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2
SCHEMBL25739573 0.81
SCHEMBL26314846 0.79 SMN1; SMN2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2

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 10 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
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
CN-1037346-C Therapeutic agents BOOTS CO LTD (GB) 1998-02-11 CN disclosed
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
CN-1057648-A Therapeutical agent BOOTS CO PLC (GB) 1992-01-08 CN 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