SCHEMBL9060495

SCHEMBL9060495

CCNC(=Nc1ccccc1N1CCOCC1)NCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNQ2 O43526 1/20 0.42
LMNA P02545 2/20 0.41
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ATM Q13315 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 2/20 0.39
GPR55 Q9Y2T6 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL9061174 0.93 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9061168 0.93 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9059110 0.92 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9059112 0.92 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9424483 0.89 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9424733 0.86 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9424265 0.86 LMNA (0.42) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9424268 0.86 LMNA (0.42) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL9424735 0.86 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
Methylamine SCHEMBL27301998 0.85 LMNA (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1

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
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