SCHEMBL9753640

SCHEMBL9753640

C[C@@H](CCN)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.67
RIPK1 Q13546 1/20 0.63
HRH1 P35367 2/20 0.62
AOC3 Q16853 2/20 0.54
HTR2A P28223 2/20 0.52
TRPA1 O75762 3/20 0.48

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
SCHEMBL5791734 1.00 TAAR1 (0.67) TAAR1RIPK1HRH1AOC3HTR2A
SCHEMBL1281 1.00 TAAR1 (0.67) TAAR1RIPK1HRH1AOC3HTR2A
SCHEMBL23336071 1.00 TAAR1 (0.67) TAAR1RIPK1HRH1AOC3HTR2A
SCHEMBL11489693 0.87 CHRNB2 (0.53) TAAR1RIPK1HRH1AOC3
SCHEMBL2096805 0.86 HRH1 (0.65) TAAR1RIPK1HRH1AOC3HTR2A
Hydrochloric Acid SCHEMBL11496246 0.86 CHRNB2 (0.52) TAAR1RIPK1HRH1AOC3
SCHEMBL6280516 0.85 RIPK1 (0.67) TAAR1RIPK1AOC3TRPA1
SCHEMBL3428511 0.85 TAAR1 (0.59) TAAR1RIPK1HRH1AOC3HTR2A
SCHEMBL14387157 0.85 TAAR1 (0.59) TAAR1RIPK1HRH1AOC3HTR2A
SCHEMBL14459040 0.83 TAAR1 (0.57) TAAR1RIPK1HRH1AOC3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4188932-A1 COMPOUNDS The Provost, Fellows, Foundation Scholars and the other members of Board, of the College of the Holy and Undivided Trinity of Queen Elizabeth, (IE) 2023-06-07 EP disclosed
WO-2022023438-A1 COMPOUNDS THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2022-02-03 WO disclosed
EP-3849969-A1 INDAZOLE CARBOXAMIDES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2021-07-21 EP disclosed
EP-3704118-A1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2020-09-09 EP disclosed
WO-2020056074-A1 INDAZOLE CARBOXAMIDES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-19 WO disclosed
WO-2018148626-A1 AMINOTRIAZOLOPYRIDINES AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-08-16 WO disclosed
EP-3307880-A1 TRANSAMINASES c-LEcta GmbH (DE) 2018-04-18 EP disclosed
WO-2016198660-A1 TRANSAMINASES C-LECTA GMBH (DE) 2016-12-15 WO disclosed
EP-2675774-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE DIHYDROBENZOFURAN DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2013-12-25 EP disclosed
WO-2012111849-A1 PRODUCTION METHOD OF OPTICALLY ACTIVE DIHYDROBENZOFURAN DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 WO disclosed
WO-1991019002-A1 A PROCESS FOR CHIRAL ENRICHMENT OF ASYMMETRIC PRIMARY AMINES CARLBIOTECH LTD. A/S (DK) 1991-12-12 WO disclosed