SCHEMBL7413532

SCHEMBL7413532

O=C1CCC(OC(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.63
PTPN1 P18031 2/20 0.63
PTPRF P10586 1/20 0.63
SCN1A P35498 2/20 0.46
SCN2A Q99250 2/20 0.46
SCN3A Q9NY46 2/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
STS P08842 4/20 0.44
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SERPINE1 P05121 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL27964590 0.89 PTPN2 (0.71) PTPN2PTPN1PTPRFSCN1ASCN2A
SCHEMBL27517068 0.86 PTPRF (0.67) PTPN2PTPN1PTPRFSCN1ASCN2A
SCHEMBL7407145 0.85 PTPN2 (0.61) PTPN2PTPN1PTPRFSCN1ASCN2A
SCHEMBL7412257 0.85 SCN1A (0.65) PTPN2PTPN1PTPRFSCN1ASCN2A
SCHEMBL13169508 0.84 PTPRF (0.65) PTPN2PTPN1PTPRFSCN1ASCN2A
SCHEMBL1556598 0.84 MEN1 (0.59) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL7411400 0.82 CA1 (0.51) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL7412930 0.81 POLB (0.57) PTPN2PTPN1PTPRFSCN1ASCN2A
SCHEMBL27613024 0.79 SERPINE1 (0.61) PTPN2PTPN1PTPRFSCN1ASCN2A
SCHEMBL16795271 0.78 PTPRF (0.56) PTPN2PTPN1PTPRFSCN1ASCN2A

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
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed