SCHEMBL10691437

SCHEMBL10691437

[O]C(Br)CCCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
TRPA1 O75762 1/20 0.51
SIGMAR1 Q99720 8/20 0.50
S1PR2 O95136 1/20 0.50
S1PR4 O95977 1/20 0.50
S1PR1 P21453 1/20 0.50
S1PR3 Q99500 1/20 0.50
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
ALOX5 P09917 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46

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
SCHEMBL6689786 0.85 SIGMAR1 (0.52) MAPTRXFP1TRPA1SIGMAR1S1PR2
SCHEMBL6686632 0.85 SIGMAR1 (0.52) MAPTRXFP1TRPA1SIGMAR1S1PR2
SCHEMBL6685308 0.85 SIGMAR1 (0.52) MAPTRXFP1TRPA1SIGMAR1S1PR2
SCHEMBL6686320 0.83 MAOA (0.52) MAPTRXFP1TRPA1SIGMAR1MAOA
SCHEMBL10694052 0.79 TRPA1 (0.56) MAPTRXFP1TRPA1S1PR2S1PR4
SCHEMBL1678621 0.79 ALOX5 (0.53) MAPTRXFP1TRPA1SIGMAR1ALOX5
SCHEMBL8095284 0.79 SIGMAR1 (0.71) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL2823250 0.79 SIGMAR1 (0.71) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL6546948 0.79 SIGMAR1 (0.71) MAPTRXFP1SIGMAR1MAOAMAOB
SCHEMBL8094527 0.79 SIGMAR1 (0.71) MAPTRXFP1SIGMAR1MAOAMAOB

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-4727073-A CEREBOVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-23 US disclosed
US-4698340-A TREATMENT OF CEREBROVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 US disclosed
EP-0177287-A2 Pyrimidine derivatives, processes for preparation thereof and composition of the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-04-09 EP disclosed
EP-0169712-A2 New pyrimidine derivatives, processes for preparation thereof and composition containing the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-29 EP disclosed