SCHEMBL28585404

SCHEMBL28585404

Brc1cccc(CCCCCCc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.59
▸ SIGMAR1 Q99720 7/20 0.55
▸ IGF1R P08069 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ IDO1 P14902 1/20 0.47
▸ AGXT P21549 1/20 0.47

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
SCHEMBL30444743 1.00 TAAR1 (0.59) TAAR1SIGMAR1IGF1RALOX15MAOA
SCHEMBL16203114 1.00 TAAR1 (0.59) TAAR1SIGMAR1IGF1RALOX15MAOA
SCHEMBL13569139 0.98 TAAR1 (0.61) TAAR1SIGMAR1IGF1RALOX15MAOA
SCHEMBL5139428 0.94 TAAR1 (0.61) TAAR1SIGMAR1IGF1RALOX15MAOA
SCHEMBL19524669 0.94 TAAR1 (0.65) TAAR1SIGMAR1MAOBIDO1AGXT
SCHEMBL15810301 0.90 TAAR1 (0.57) TAAR1SIGMAR1IGF1RALOX15MAOB
SCHEMBL15810321 0.90 TAAR1 (0.57) TAAR1SIGMAR1IGF1RALOX15MAOB
SCHEMBL9660784 0.89 TAAR1 (0.65) TAAR1SIGMAR1MAOAMAOBIDO1
SCHEMBL22379957 0.89 TAAR1 (0.47) TAAR1SIGMAR1IGF1RALOX15MAOA
SCHEMBL5240585 0.87 TAAR1 (0.68) TAAR1SIGMAR1MAOBIDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113121579-B Synthesis method of 3- (6-phenylhexyl) phenylboronic acid and derivative thereof 河北松辰医药科技有限公司 2023-06-06 — — CN claimed
CN-113121579-B Synthesis method of 3- (6-phenylhexyl) phenylboronic acid and derivative thereof 河北松辰医药科技有限公司 2023-06-06 — — CN disclosed
CN-113121579-A Synthetic method of 3- (6-phenylhexyl) phenylboronic acid and derivatives thereof 河北松辰医药科技有限公司 2021-07-16 — — CN disclosed
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