SCHEMBL3961763

SCHEMBL3961763

COC(=O)[C@@H]1C[C@H](Oc2ccccc2)CN1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.50
PIM1 P11309 1/20 0.45
P2RX3 P56373 1/20 0.45
CTSC P53634 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHEK2 O96017 2/20 0.42
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL950955 1.00 HRH3 (0.50) HRH3PIM1P2RX3CTSCKDM4E
SCHEMBL23260557 1.00 HRH3 (0.50) HRH3PIM1P2RX3CTSCKDM4E
SCHEMBL951361 1.00 HRH3 (0.50) HRH3PIM1P2RX3CTSCKDM4E
Hydrochloric Acid SCHEMBL950953 0.99 HRH3 (0.49) HRH3PIM1P2RX3CTSCKDM4E
Hydrochloric Acid SCHEMBL950954 0.99 HRH3 (0.49) HRH3PIM1P2RX3CTSCKDM4E
Hydrochloric Acid SCHEMBL29523913 0.99 HRH3 (0.49) HRH3PIM1P2RX3CTSCKDM4E
Hydrochloric Acid SCHEMBL3549800 0.91 P2RX3 (0.44) HRH3PIM1P2RX3CTSCSLC6A4
SCHEMBL8142477 0.88 HRH3 (0.45) HRH3PIM1
SCHEMBL29523978 0.87 HRH3 (0.53) HRH3PIM1P2RX3
SCHEMBL6769372 0.86 P2RX3 (0.46) HRH3PIM1P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022253101-A1 PYRIDAZINONE COMPOUND AS PARP7 INHIBITOR 上海优理惠生医药有限公司 2022-12-08 WO disclosed
WO-2009038411-A2 BETA-SECRETASE INHIBITING COMPOUNDS HAVING OXO-DIHYDRO-PYRAZOLE MOIETY LG LIFE SCIENCES, LTD. (KR) 2009-03-26 WO disclosed
US-5693633-A Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed
US-5612360-A AROMATIC N-HETEROCYCLIC COMPOUNDS AS HYPOTENSIVE AGENTS WITH ACID GROUPS, SULFONYLCARBOXAMIDES OR TETRAZOLE GROUPS ELI LILLY AND COMPANY (US) 1997-03-18 US disclosed
US-5569768-A USEFUL IN TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, GLAUCOMA AND RENAL INSUFFICIENCY ELI LILLY AND COMPANY (US) 1996-10-29 US disclosed
US-5556981-A Angiotensin II antagonist intermediates ELI LILLY AND COMPANY (US) 1996-09-17 US disclosed
US-5484780-A CARDIOVASCULAR, HYPOTENSIVE ELI LILLY AND COMPANY (US) 1996-01-16 US disclosed
US-5401851-A Preparation of proline derivatives ELI LILLY AND COMPANY (US) 1995-03-28 US disclosed
US-5380866-A Alkyl substituted nitroimidazole acetic acids ELI LILLY AND COMPANY (US) 1995-01-10 US disclosed
EP-0621269-A1 Alkyl substituted nitroimidazole acetic acids ELI LILLY AND COMPANY (US) 1994-10-26 EP disclosed
US-5344937-A Alkyl substituted nitroimidazole acetic acids ELI LILLY AND COMPANY (US) 1994-09-06 US disclosed
EP-0574174-A2 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-15 EP disclosed
EP-0573271-A1 Angiotensin II antagonists ELI LILLY AND COMPANY (US) 1993-12-08 EP disclosed