SCHEMBL9059625

SCHEMBL9059625

CC1CN(C(N)=Nc2ccccc2-c2ccccc2)CCO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.39
PIK3CD O00329 1/20 0.38
PIK3R2 O00459 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PIK3R5 Q8WYR1 1/20 0.38
PIK3R3 Q92569 1/20 0.38
PDK1 Q15118 1/20 0.37
GLRA1 P23415 1/20 0.34
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL9311235 0.80 SIGMAR1 (0.46) SIGMAR1TSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL9059944 0.78 SIGMAR1 (0.48) SIGMAR1SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL9059245 0.77 SIGMAR1 (0.44) SIGMAR1SMN1; SMN2
SCHEMBL9060426 0.75 SIGMAR1 (0.42) SIGMAR1TSHRSMN1; SMN2ALDH1A1RECQL
SCHEMBL9059786 0.75 SIGMAR1 (0.46) SIGMAR1KDM4EPOLB
SCHEMBL9061357 0.74 SIGMAR1 (0.60) SIGMAR1TSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL9059900 0.74 SIGMAR1 (0.49) SIGMAR1SMN1; SMN2LMNA
SCHEMBL9059479 0.74 CHRNB2 (0.40) SIGMAR1TSHRALDH1A1RECQLKDM4E
SCHEMBL9059672 0.73 CYP2D6 (0.46) SIGMAR1SMN1; SMN2ALDH1A1POLBHTT
SCHEMBL9059465 0.72 SIGMAR1 (0.45) SIGMAR1HPGD

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
EP-0536151-B1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM BOOTS CO PLC (GB) 1994-09-14 EP disclosed
US-5302720-A Biphenyl-substituted guanidine derivatives useful as hypoglycaemic agents THE BOOTS COMPANY (GB) 1994-04-12 US disclosed
WO-1992000273-A1 ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM THE BOOTS COMPANY PLC (GB) 1992-01-09 WO disclosed