SCHEMBL7548869

SCHEMBL7548869

O=C(O)C1CCCN1c1ccc(Br)cc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 4/20 0.47
CCR2 P41597 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.39
THRB P10828 1/20 0.39
ALOX12 P18054 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
KEAP1 Q14145 2/20 0.38
SERPINE1 P05121 1/20 0.37
AGTR2 P50052 1/20 0.37

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
SCHEMBL8140544 1.00 CCR1 (0.47) CCR1CCR2SMN1; SMN2MAPTALDH1A1
SCHEMBL16759937 0.80 NOTUM (0.52) SMN1; SMN2MAPTALDH1A1KMT2ATHRB
SCHEMBL31693952 0.77 MAPT (0.56) SMN1; SMN2MAPTALDH1A1SERPINE1
SCHEMBL6541698 0.77 MAPT (0.56) SMN1; SMN2MAPTALDH1A1SERPINE1
SCHEMBL18839635 0.77 AR (0.49) SMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL21660807 0.77 HTT (0.43) KMT2ATHRBALOX12AGTR2
SCHEMBL3060271 0.76 SMN1; SMN2 (0.44) SMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL16197772 0.76 SMN1; SMN2 (0.44) SMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL3060275 0.76 SMN1; SMN2 (0.44) SMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL2935668 0.76 SMN1; SMN2 (0.42) SMN1; SMN2MAPTALDH1A1KMT2ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3753560-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2020-12-23 EP disclosed
EP-3753560-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2020-12-23 EP disclosed
EP-1041980-A4 ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2002-03-20 EP disclosed
EP-1041980-A1 ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-11 EP disclosed
US-6011059-A PREVENTING OR TREATING ANGINA PECTORIS, CARDIAC DYSFUNCTION, MYOCARDIAL NECROSIS, AND ARRHYTHMIA EMPLOYING THE ABOVE ACYL GUANIDINES. BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
WO-1999033460-A1 ACYL GUANIDINE SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 1999-07-08 WO disclosed