SCHEMBL7464488

SCHEMBL7464488

C=CCN(CC=C)CC=C.[CH3]

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 3/20 0.33
OPRM1 P35372 2/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 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
SCHEMBL7549527 0.96 TSHR (0.43) TSHRALDH1A1OPRM1OPRD1OPRK1
SCHEMBL20656 0.96 TSHR (0.43) TSHRALDH1A1OPRM1OPRD1OPRK1
Water SCHEMBL1155699 0.92 TSHR (0.40) TSHRALDH1A1OPRM1OPRD1OPRK1
Hydrogen Sulfide SCHEMBL9281216 0.92 TSHR (0.40) TSHRALDH1A1OPRM1OPRD1OPRK1
Hydrochloric Acid SCHEMBL809934 0.92 TSHR (0.40) TSHRALDH1A1OPRM1OPRD1OPRK1
Bromide SCHEMBL10582038 0.92 TSHR (0.40) TSHRALDH1A1OPRM1OPRD1OPRK1
Fluoride SCHEMBL635869 0.92 TSHR (0.40) TSHRALDH1A1OPRM1OPRD1OPRK1
SCHEMBL3429854 0.92 TSHR (0.40) TSHRALDH1A1OPRM1OPRD1OPRK1
SCHEMBL22204469 0.92 TSHR (0.40) TSHRALDH1A1OPRM1OPRD1OPRK1
Fluoride SCHEMBL1264751 0.92 TSHR (0.40) TSHRALDH1A1OPRM1OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0580650-A1 NOVEL 2-SPIROCYCLOPROPYL 4-ACYLCEPHEMS AND PROCESSES FOR THE PREPARATION THEREOF SYNPHAR LABORATORIES INC. (CA) 1994-02-02 EP disclosed
US-5258377-A Elastase inhibitors TAIHO PHARMACEUTICAL CO., LTD. (JP) 1993-11-02 US disclosed
WO-1992017482-A1 NOVEL 2-SPIROCYCLOPROPYL 4-ACYLCEPHEMS AND PROCESSES FOR THE PREPARATION THEREOF SYNPHAR LABORATORIES, INC. (CA) 1992-10-15 WO disclosed