SCHEMBL8091553

SCHEMBL8091553

C[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.61
TAAR1 Q96RJ0 2/20 0.61
MAOA P21397 1/20 0.61
SLC6A4 P31645 1/20 0.61
SLC6A3 Q01959 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
CYP2A6 P11509 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA1 P30542 1/20 0.61
CYP2D6 P10635 1/20 0.57
TRPA1 O75762 2/20 0.55
CSNK1E P49674 1/20 0.54
EPHX1 P07099 1/20 0.54
SLC15A1 P46059 1/20 0.51
LAP3 P28838 4/20 0.51
ANPEP P15144 2/20 0.51
RNPEP Q9H4A4 1/20 0.51
DNPEP Q9ULA0 1/20 0.51
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL23752456 1.00 SLC6A2 (0.61) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL29941240 1.00 SLC6A2 (0.61) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL6191623 1.00 SLC6A2 (0.61) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL6193282 1.00 SLC6A2 (0.61) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL2232612 1.00 SLC6A2 (0.61) SLC6A2TAAR1MAOASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL27535848 0.98 SLC6A2 (0.59) SLC6A2TAAR1MAOASLC6A4SLC6A3
Bicarbonate SCHEMBL7838533 0.94 SLC15A1 (0.56) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL6575399 0.83 SLC6A2 (0.57) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL6580061 0.83 SLC6A2 (0.57) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL22431194 0.82 EPHX1 (0.58) SLC6A2TAAR1MAOASLC6A4SLC6A3

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
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
EP-1059285-A2 Process for the preparation of 1,3-diamino-2-propanol and 1,3-diamino-2-propanone derivatives Pharm-Eco Laboratories, Inc. (US) 2000-12-13 EP disclosed