SCHEMBL9060361

SCHEMBL9060361

CNC(=Nc1ccc(C)cc1N1CCOCC1)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
PRKDC P78527 1/20 0.38
LMNA P02545 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
RAB9A P51151 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C9 P11712 3/20 0.35
CYP2D6 P10635 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 2/20 0.34

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
SCHEMBL9423899 1.00 ALDH1A1 (0.38) ALDH1A1PRKDCLMNASMN1; SMN2MCOLN3
SCHEMBL9424525 0.88 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL9424532 0.88 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL9424377 0.86 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL9424375 0.86 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL9532357 0.85 ALDH1A1 (0.38) ALDH1A1PRKDCLMNASMN1; SMN2MCOLN3
SCHEMBL9424153 0.85 ALOX15 (0.39) ALDH1A1LMNASMN1; SMN2HPGDKMT2A
SCHEMBL9424151 0.85 ALOX15 (0.39) ALDH1A1LMNASMN1; SMN2HPGDKMT2A
SCHEMBL9060038 0.83 MAPT (0.38) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL9423996 0.83 GAA (0.34) ALDH1A1LMNAKMT2AMEN1RAB9A

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
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-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