SCHEMBL9622159

SCHEMBL9622159

C[C@H](N)Cc1cccc(C(=O)O)c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.69
ENPEP Q07075 1/20 0.69
FOLH1 Q04609 8/20 0.59
SLC6A2 P23975 2/20 0.57
TAAR1 Q96RJ0 2/20 0.57
MAOA P21397 1/20 0.57
SLC6A4 P31645 1/20 0.57
SLC6A3 Q01959 1/20 0.57
SIGMAR1 Q99720 1/20 0.57
CYP2A6 P11509 1/20 0.57
ADORA2A P29274 1/20 0.57
ADORA1 P30542 1/20 0.57
SLC7A5 Q01650 2/20 0.55

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
SCHEMBL1397444 1.00 ANPEP (0.69) ANPEPENPEPFOLH1SLC6A2TAAR1
SCHEMBL14478232 1.00 ANPEP (0.69) ANPEPENPEPFOLH1SLC6A2TAAR1
Hydrochloric Acid SCHEMBL27656347 0.98 ANPEP (0.67) ANPEPENPEPFOLH1SLC6A2TAAR1
Isophthalic Acid SCHEMBL28055755 0.91 SLC6A2 (0.66) ANPEPENPEPFOLH1SLC6A2TAAR1
Trifluoroacetamide SCHEMBL9181331 0.89 ANPEP (0.57) ANPEPENPEPFOLH1SLC6A2TAAR1
SCHEMBL765921 0.87 FOLH1 (0.61) ANPEPENPEPFOLH1
Amphetamine SCHEMBL21464672 0.87 TAAR1 (0.70) ANPEPENPEPSLC6A2TAAR1MAOA
Amphetamine SCHEMBL29185448 0.87 TAAR1 (0.70) ANPEPENPEPSLC6A2TAAR1MAOA
Glutamic Acid SCHEMBL1033856 0.86 FOLH1 (0.53) ANPEPENPEPFOLH1SLC7A5
SCHEMBL1043826 0.86 ANPEP (0.55) ANPEPENPEPSLC6A2TAAR1MAOA

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
US-5079260-A Side effect reduction; fluorene derivatives NOVA PHARMACEUTICAL CORPORATION (US) 1992-01-07 US disclosed
US-4687781-A SYNERGISTIC; AMINO ACID WITH NON-STEROID ASPIRIN-TYPE AGENT ENDORFIN, INC. (US) 1987-08-18 US disclosed
US-4579843-A PHENYLALANINE, LEUCINE, ASPIRIN, HYDROCINNAMIC ACID MIXTURES ENDORFIN, INC. (US) 1986-04-01 US disclosed
US-4439452-A Class of analgesics and/or anti-inflammatory agents consisting of inhibitors of breakdown of endogenous enkephalin and/or endorphin, and combinations of said analgesics with antipyretic, anti-inflammatory (aspirin-type) drugs Enrenpreis, Seymour (US) 1984-03-27 US disclosed