SCHEMBL10875010

SCHEMBL10875010

NCC12C3C4C1C1C2C3C41C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
GRM1 Q13255 1/20 0.45
GRM2 Q14416 1/20 0.45
GRM4 Q14833 1/20 0.45
GLRA1 P23415 1/20 0.30
SLC6A9 P48067 1/20 0.30
OR51E2 Q9H255 1/20 0.30

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
SCHEMBL838877 0.78 GRM5 (0.55) GRM5GRM1GRM2GRM4
Hydrochloric Acid SCHEMBL10875068 0.74 GRM5 (0.52) GRM5GRM1GRM2GRM4
SCHEMBL14530374 0.67 TP53 (0.36) GRM5GRM1GRM2GRM4
SCHEMBL8342257 0.67 GRM5 (0.34) GRM5GRM1GRM2GRM4
SCHEMBL20130279 0.67 GRM5 (0.46) GRM5GRM1GRM2GRM4
SCHEMBL15055615 0.65 GRM5 (0.50) GRM5GRM1GRM2GRM4
Hydrochloric Acid SCHEMBL10875811 0.61 GRM5 (0.41) GRM5GRM1GRM2GRM4
SCHEMBL5313701 0.60 GRM5 (0.40) GRM5GRM1GRM2GRM4
Hydrochloric Acid SCHEMBL5827216 0.56 GRM5 (0.35) GRM5GRM1GRM2GRM4
SCHEMBL18658636 0.54

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
EP-0181926-A1 SUBSTITUTED CUBANES UNIVERSITY PATENTS, INC. (US) 1986-05-28 EP disclosed
WO-1985005357-A1 SUBSTITUTED CUBANES UNIVERSITY PATENTS, INC. (US) 1985-12-05 WO disclosed