SCHEMBL23851277

SCHEMBL23851277

O=C(Oc1cccc(Br)n1)N1CCC(F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.46
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NCEH1 Q6PIU2 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MAPT P10636 2/20 0.35

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
SCHEMBL23852183 0.89 NPC1 (0.50) MGLLGAASMN1; SMN2ALDH1A1NPSR1
SCHEMBL23851279 0.85 MGLL (0.52) MGLLGAASMN1; SMN2ALDH1A1NPSR1
SCHEMBL27973414 0.82 SMN1; SMN2 (0.41) MGLLGAASMN1; SMN2ALDH1A1NPSR1
SCHEMBL25438423 0.74 RIPK1 (0.37) MGLLGAASMN1; SMN2ALDH1A1RXFP1
SCHEMBL23803750 0.72 GAA (0.47) GAASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4269162 0.72 GPR119 (0.55) —
SCHEMBL30150132 0.72 GPR119 (0.55) —
SCHEMBL28731835 0.70 RAB9A (0.48) MGLLGAASMN1; SMN2ALDH1A1NPSR1
SCHEMBL28731834 0.70 MGLL (0.45) MGLLGAASMN1; SMN2ALDH1A1NPSR1
SCHEMBL248107 0.70 HTR7 (0.42) GAAALDH1A1TSHRFAAHHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3883928-A1 GLP-1R AGONISTS AND USES THEREOF Qilu Regor Therapeutics Inc. (CN) 2021-09-29 — — EP disclosed
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