SCHEMBL11068027

SCHEMBL11068027

C=CCC1CN(C=C)C(=O)O1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 2/20 0.33
CTRC Q99895 2/20 0.33
F2 P00734 1/20 0.33
FAAH O00519 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTR2B P41595 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
SCHEMBL2367731 0.81 GRM2 (0.33)
SCHEMBL10547398 0.80 GRM2 (0.41)
SCHEMBL10249598 0.78 PRSS1 (0.33) PRSS1CTRCF2FAAHALDH1A1
SCHEMBL10551681 0.76 GRM2 (0.51)
SCHEMBL10548578 0.75 GRM2 (0.52)
SCHEMBL10549348 0.74 GRM2 (0.53)
SCHEMBL10548637 0.74 GRM2 (0.53)
SCHEMBL10546622 0.74 GRM2 (0.53)
SCHEMBL10503824 0.74 GRM2 (0.53)
SCHEMBL20425130 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4517254-A ALKALI METAL HYDROXIDE, AMINOALKYLPOLYACID COMPOUNT SCHERING AKTIENGESELLSCHAFT (DE) 1985-05-14 US disclosed
US-4248632-A ACTIVATION OF A POLYMER SURFACE WITH A PALLADIUM COMPLEX SALT SCHERING AKTIENGESELLSCHAFT (DE) 1981-02-03 US disclosed