SCHEMBL11057583

SCHEMBL11057583

CCc1cc(Br)cc(CC)c1NC(=O)NC(=N)N

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 4/20 0.46
CACNA1C Q13936 3/20 0.46
ALDH1A1 P00352 5/20 0.36
HPGD P15428 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
ANPEP P15144 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2B P41595 1/20 0.33
THRB P10828 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
GPR35 Q9HC97 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11282344 0.90 SCN5A (0.38) SCN5ACACNA1CALDH1A1HPGDSIGMAR1
SCHEMBL11407438 0.86 SCN5A (0.47) SCN5ACACNA1CALDH1A1HPGDSIGMAR1
SCHEMBL10729708 0.86 SCN5A (0.47) SCN5ACACNA1CALDH1A1HPGDANPEP
SCHEMBL11408706 0.86 SCN5A (0.47) SCN5ACACNA1CALDH1A1HPGDKDM4E
SCHEMBL11059498 0.84 SCN5A (0.46) SCN5ACACNA1CALDH1A1HPGDKDM4E
SCHEMBL11056054 0.84 SCN5A (0.46) SCN5ACACNA1CALDH1A1HPGDANPEP
SCHEMBL11137550 0.83 ALDH1A1 (0.48) SCN5ACACNA1CALDH1A1HPGDSIGMAR1
SCHEMBL11414104 0.82 SCN5A (0.39) SCN5ACACNA1CALDH1A1SIGMAR1DRD2
SCHEMBL11412942 0.82 SCN5A (0.45) SCN5ACACNA1CALDH1A1KDM4EMAPT
SCHEMBL11270002 0.81 SCN5A (0.38) SCN5ACACNA1CALDH1A1HPGDDRD2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4452980-A DIARRHEA WILLIAM H. RORER, INC. (US) 1984-06-05 US disclosed
US-4326075-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed
US-4246409-A ANTIDIARRHEAL AGENTS WILLIAM H. RORER, INC. (US) 1981-01-20 US disclosed
US-4225315-A Triazinones from amidinoureas WILLIAM H. RORER, INC. (US) 1980-09-30 US disclosed
US-4216229-A 1-AMIDINO-3-PHENYLUREAS WILLIAM H. RORER, INC. (US) 1980-08-05 US disclosed
US-4216230-A Method for alleviating hypertension with amidinoureas WILLIAM H. RORER, INC. (US) 1980-08-05 US disclosed
US-4203920-A ANTIDIARRHEAL WILLIAM H. RORER, INC. (US) 1980-05-20 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 US disclosed