SCHEMBL8973187

SCHEMBL8973187

CC[C@]1(C(=O)O)C[C@@H](O)CN1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.40
FUCA1 P04066 2/20 0.40
ALDH1A1 P00352 2/20 0.39
ELANE P08246 1/20 0.39
BRD4 O60885 3/20 0.39
S1PR5 Q9H228 2/20 0.38
MAPT P10636 1/20 0.38
S1PR1 P21453 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
OPRM1 P35372 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SIRT1 Q96EB6 1/20 0.37

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
SCHEMBL30067766 0.78 CYP2D6 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL2769832 0.78 CYP2D6 (0.44) ALDH1A1ELANEMEN1KMT2AOPRM1
SCHEMBL23377484 0.77 FUCA1 (0.45) FUCA1ALDH1A1ELANEMAPTMEN1
SCHEMBL8972846 0.74 ELANE (0.42) GRM6ELANEKMT2A
SCHEMBL30695258 0.74 ELANE (0.44) GRM6ALDH1A1ELANE
SCHEMBL15866083 0.74 FUCA1 (0.45) FUCA1ALDH1A1MAPTMEN1KMT2A
SCHEMBL31172293 0.74 FUCA1 (0.45) FUCA1ALDH1A1MAPTMEN1KMT2A
SCHEMBL21908926 0.74 CYP3A4 (0.41) ALDH1A1MAPTMEN1KMT2ASIGMAR1
SCHEMBL11244952 0.74 SLC6A9 (0.35)
SCHEMBL31171560 0.74 MAPT (0.43) FUCA1ALDH1A1MAPTMEN1KMT2A

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-0703218-A1 Pyrrolidinyl di-carboxylic acid derivatives as metabotropic glutamate receptor antagonists ELI LILLY AND COMPANY (US) 1996-03-27 EP disclosed
WO-1996005828-A1 PYRROLIDINYL DI-CARBOXYLIC ACID DERIVATIVES AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-02-29 WO disclosed