SCHEMBL21246355

SCHEMBL21246355

C[C@@H](O)[C@H](N)C(=O)N1CC2(CCCCC2)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP19 O94966 1/20 0.36
DPP4 P27487 1/20 0.35
PREP P48147 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
GRM5 P41594 2/20 0.32
GRM4 Q14833 1/20 0.31
ARG1 P05089 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
SCHEMBL21246350 0.79 USP19 (0.34) USP19SMN1; SMN2GRM5GRM4
SCHEMBL11464909 0.76 SMN1; SMN2 (0.36) USP19SMN1; SMN2GRM5
Hydrochloric Acid SCHEMBL21224547 0.74 ALOX15 (0.35) USP19ARG1
Hydrochloric Acid SCHEMBL21224546 0.74 ALOX15 (0.35) USP19ARG1
SCHEMBL21246351 0.72 GRIN2B (0.43) USP19SMN1; SMN2GRM5
SCHEMBL21246352 0.72 GRIN2B (0.43) USP19SMN1; SMN2GRM5
SCHEMBL21246354 0.72 GRIN2B (0.43) USP19SMN1; SMN2GRM5
Hydrochloric Acid SCHEMBL21225114 0.71 GRM5 (0.33) USP19SMN1; SMN2GRM5GRM4
SCHEMBL21246333 0.71 GRM5 (0.34) USP19SMN1; SMN2GRM5
SCHEMBL20814033 0.69 DPP4 (0.41) DPP4PREPDPP7

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
WO-2019152688-A1 SPIRO-LACTAM NMDA RECEPTOR MODULATORS AND USES THEREOF APTINYX INC. (US) 2019-08-08 WO disclosed