SCHEMBL8558248

SCHEMBL8558248

O=S(=O)(CCCC1CCNCC1)c1ccccc1Br

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 1/20 0.52
▸ CHRM3 P20309 1/20 0.52
▸ PLCG1 P19174 1/20 0.46
▸ SLC6A4 P31645 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ GBA1 P04062 1/20 0.37
▸ ITGB3 P05106 5/20 0.36
▸ ITGA2B P08514 5/20 0.36
▸ NMT1 P30419 2/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ TERT O14746 1/20 0.35

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
SCHEMBL8170812 0.92 CHRM1 (0.57) CHRM1CHRM3PLCG1SLC6A4MAPT
SCHEMBL8171108 0.71 ALDH1A1 (0.57) CHRM1CHRM3NMT1HTR6
SCHEMBL2451404 0.71 PLCG1 (0.60) PLCG1MAPTCA1CA2CA4
SCHEMBL15916256 0.71 PLCG1 (0.60) PLCG1MAPTCA1CA2CA4
SCHEMBL28023659 0.71 PLCG1 (0.60) PLCG1MAPTCA1CA2CA4
SCHEMBL15916086 0.70 MAPT (0.49) PLCG1MAPTCA1CA2CA4
SCHEMBL15915195 0.69 PLCG1 (0.58) PLCG1MAPTCA1CA2CA4
SCHEMBL15915533 0.68 PLCG1 (0.61) PLCG1CA1CA2CA4CA6
SCHEMBL15917691 0.68 MAPT (0.74) PLCG1MAPTCA1CA2CA4
SCHEMBL7885967 0.67 ITGB3 (0.41) CHRM1CHRM3SLC6A4ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832076-A1 NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-04-01 — — EP disclosed
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