SCHEMBL9755838

SCHEMBL9755838

NC(CCC[C@H](N)C(=O)O)C(=O)c1ccncc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.48
GRM4 Q14833 1/20 0.48
ARG1 P05089 4/20 0.43
GSR P00390 1/20 0.43
NAPRT Q6XQN6 1/20 0.42
KIF11 P52732 2/20 0.42
NOS1 P29475 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MPO P05164 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CYP2A6 P11509 1/20 0.42
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ARG2 P78540 3/20 0.40
PLOD2 O00469 1/20 0.40

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
SCHEMBL10592278 1.00 GRM8 (0.48) GRM8GRM4ARG1GSRNAPRT
SCHEMBL9755844 0.84 POLB (0.51) GSRKIF11NOS1POLBKMT2A
SCHEMBL10591572 0.84 POLB (0.51) GSRKIF11NOS1POLBKMT2A
SCHEMBL717650 0.81 GRM8 (0.49) GRM8GRM4NOS1CYP2C19PLOD2
SCHEMBL9726131 0.81 GRM8 (0.46) GRM8GRM4ARG1GSRNAPRT
Lysine SCHEMBL30844060 0.80 GSR (0.61) GRM8GRM4ARG1GSRNAPRT
SCHEMBL2239991 0.78 CYP1A2 (0.58) GRM8GRM4CYP1A2CYP3A4CYP2D6
SCHEMBL2239985 0.78 CYP1A2 (0.58) GRM8GRM4CYP1A2CYP3A4CYP2D6
SCHEMBL2352046 0.78 GRIK1 (0.54) GRM8GRM4ARG1GSRKIF11
SCHEMBL2352037 0.78 GRIK1 (0.54) GRM8GRM4ARG1GSRKIF11

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
WO-1991019743-A2 COMBINED TREATMENT WITH GnRH ANTAGONIST AND GnRH TO CONTROL GONADOTROPIN LEVELS IN MAMMALS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 1991-12-26 WO disclosed
EP-0345990-A2 Polypeptide compounds ZENECA LIMITED (GB) 1989-12-13 EP disclosed