SCHEMBL26922629

SCHEMBL26922629

NC[C@@H](CC=O)c1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.41
▸ IDO1 P14902 2/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.37
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ GABBR2 O75899 2/20 0.35
▸ GABBR1 Q9UBS5 2/20 0.35
▸ GBA1 P04062 1/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ AGXT P21549 1/20 0.33

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
SCHEMBL26922035 1.00 HTR2A (0.41) HTR2AIDO1TDO2ALDH1A1TAAR1
SCHEMBL2169566 0.90 ALDH1A1 (0.44) IDO1TDO2ALDH1A1MGAMGAA
SCHEMBL11078413 0.84 IDO1 (0.52) HTR2AIDO1TDO2ALDH1A1TAAR1
SCHEMBL26923060 0.80 PNMT (0.39) TAAR1MGAMGAASIMGAM2
SCHEMBL26922943 0.80 PNMT (0.39) TAAR1MGAMGAASIMGAM2
SCHEMBL19812664 0.78 GABBR2 (0.55) HTR2ATAAR1GABBR2GABBR1
SCHEMBL5775168 0.77 IDO1 (0.42) HTR2AIDO1TDO2ALDH1A1TAAR1
SCHEMBL2793025 0.76 PARP1 (0.43) IDO1TDO2ALDH1A1GBA1PARP1
SCHEMBL2794383 0.76 PARP1 (0.43) IDO1TDO2ALDH1A1GBA1PARP1
SCHEMBL2793022 0.76 PARP1 (0.43) IDO1TDO2ALDH1A1GBA1PARP1

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-4316504-A2 COMPOUNDS Spero Therapeutics, Inc. (US) 2024-02-07 — — EP disclosed
EP-3810633-B1 COMPOUNDS SPERO THERAPEUTICS INC (US) 2023-12-13 — — EP disclosed
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