SCHEMBL9059635

SCHEMBL9059635

CC(=O)OCCN1[C]CCCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
SLC18A3 Q16572 1/20 0.36
SLC29A1 Q99808 1/20 0.34
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRNB2 P17787 1/20 0.33
TBXA2R P21731 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL65995 0.74 SLC18A3 (0.53) ALDH1A1SLC18A3CHRM5CHRM1CHRM3
SCHEMBL64545 0.72 KMT2A (0.51) ALDH1A1SLC18A3
Hydrochloric Acid SCHEMBL7423278 0.71 KMT2A (0.50) ALDH1A1SLC18A3TSHR
SCHEMBL9061080 0.69 ALDH1A1 (0.37) ALDH1A1SLC18A3CHRM5CHRM1CHRM3
SCHEMBL20609092 0.69 SLC18A3 (0.56) ALDH1A1SLC18A3SLC29A1CHRM5CHRM1
SCHEMBL9328257 0.69
SCHEMBL14500225 0.68 SLC18A3 (0.51) ALDH1A1SLC18A3SLC29A1CHRM5CHRM1
SCHEMBL21861967 0.67 CYP2D6 (0.51) ALDH1A1SLC29A1CHRM3SMN1; SMN2TSHR
SCHEMBL19493323 0.67 ALDH1A1 (0.42) ALDH1A1SLC29A1CHRM5CHRM1CHRM3
SCHEMBL23407993 0.66 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAAPOBEC3AAPOBEC3G

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