SCHEMBL9047769

SCHEMBL9047769

O=C(O)[C@@H]1CCN[C@@H]1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.47
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.44
TSHR P16473 2/20 0.43
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
GBA1 P04062 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
SLC6A2 P23975 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.37
TACR1 P25103 1/20 0.37
FFAR1 O14842 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL2916919 1.00 SLC1A2 (0.47) SLC1A2AKR1C3AKR1C1TSHRSLC18A3
SCHEMBL4780390 1.00 SLC1A2 (0.47) SLC1A2AKR1C3AKR1C1TSHRSLC18A3
SCHEMBL16579321 0.89 MEN1 (0.50) AKR1C3AKR1C1TSHRMEN1KMT2A
SCHEMBL26303505 0.87 TSHR (0.42) SLC1A2TSHRSLC18A3SIGMAR1GBA1
SCHEMBL24203568 0.86 TSHR (0.41) SLC1A2TSHRSLC18A3SIGMAR1GBA1
SCHEMBL29711804 0.86 TSHR (0.41) SLC1A2TSHRSLC18A3SIGMAR1GBA1
SCHEMBL22072962 0.86 TSHR (0.41) SLC1A2TSHRSLC18A3SIGMAR1GBA1
SCHEMBL9045734 0.82 CHRNB2 (0.57) MEN1KMT2AMAPT
SCHEMBL9344619 0.82 CHRNB2 (0.57) MEN1KMT2AMAPT
SCHEMBL8262931 0.82 SLC6A2 (0.49) TSHRMAPTPKMSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0549407-B1 Novel pyrrolidine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1996-09-25 EP disclosed
EP-0715623-A1 PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed
US-5296494-A Pyrrolidine compounds having thromboxane A2 receptor antagonistic activity and thromboxane A2 synthase inhibiting activity ADIR ET COMPAGNIE (FR) 1994-03-22 US disclosed
EP-0549407-A1 Novel pyrrolidine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-06-30 EP disclosed