SCHEMBL9309831

SCHEMBL9309831

COc1cccc2c1CCC(=O)C2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
HTR1A P08908 7/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 2/20 0.45
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
HTR5A P47898 2/20 0.45
ADRA2A P08913 2/20 0.45
ADRA1A P35348 2/20 0.45
TSHR P16473 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CYP2D6 P10635 1/20 0.45
POLL Q9UGP5 1/20 0.44
CYP19A1 P11511 1/20 0.43
HSD11B1 P28845 1/20 0.43
CYP11B2 P19099 1/20 0.43
SLC6A2 P23975 1/20 0.42

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
SCHEMBL7918368 0.76 GID4 (0.41) DRD2DRD4CYP2D6KDM4EALDH1A1
SCHEMBL7926481 0.75 HTR1A (0.46) HTR1AMEN1KMT2ACYP1A2DRD2
SCHEMBL21360735 0.74 ERN1 (0.38) MEN1KMT2ACA1CA2KDM4E
SCHEMBL8900865 0.74 TAS1R3 (0.43) ACHEHTR1AMEN1KMT2ACYP1A2
SCHEMBL17014300 0.74 HTR1A (0.55) ACHEHTR1AMEN1KMT2ACYP1A2
SCHEMBL9052842 0.73 DRD2 (0.45) ACHEHTR1ADRD2
SCHEMBL9441289 0.71 CYP1A2 (0.43) HTR1AMEN1KMT2ACYP1A2DRD2
SCHEMBL9005283 0.71 CA1 (0.56) HTR1AMEN1KMT2ACYP1A2DRD2
SCHEMBL1011305 0.70 HSD11B1 (0.54) ACHEHTR1AMEN1KMT2ACYP1A2
SCHEMBL15773366 0.70 ACHE (0.49) ACHEHTR1ADRD2DRD3POLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102766190-B Triptolide alcohol intermediate method of asymmetric synthesis 兰州大学 2016-08-17 CN claimed
WO-2023179351-A1 ASYMMETRIC SYNTHESIS METHOD OF 7-OXOTRIPTOPHENOLIDE AND USE THEREOF 欣凯医药化工中间体(上海)有限公司 2023-09-28 WO disclosed
US-5286747-A 1-alkyl-2-aminotetralin derivatives Carlsson, Per A. E. (SE) 1994-02-15 US disclosed
US-5214156-A Central nervous system disorders, dopamime receptor activity THE UPJOHN COMPANY (US) 1993-05-25 US disclosed
EP-0334538-B1 THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1992-12-02 EP disclosed
EP-0407416-A1 THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1991-01-16 EP disclosed
WO-1989009050-A1 THERAPEUTICALLY USEFUL TETRALIN DERIVATIVES THE UPJOHN COMPANY (US) 1989-10-05 WO disclosed
EP-0334538-A1 Therapeutically useful tetralin derivatives THE UPJOHN COMPANY (US) 1989-09-27 EP disclosed
EP-0064964-B1 THERAPEUTICALLY USEFUL 1-ALKYL-2-AMINOTETRALIN DERIVATIVES Astra Läkemedel Aktiebolag (SE) 1984-08-08 EP disclosed
US-4049701-A ANALGESICS, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1977-09-20 US disclosed
US-4001326-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-01-04 US disclosed
US-4001331-A ANTIINFLAMMATORY, ANALGESIC AMERICAN HOME PRODUCTS CORPORATION (US) 1977-01-04 US disclosed
US-3979434-A ANALGESICS, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-09-07 US disclosed
US-3976696-A ANALGESIC, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-24 US disclosed
US-3976693-A ANALGESIC, ANTIINFLAMMATORY AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-24 US disclosed
US-3957872-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-05-18 US disclosed
US-3937736-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-10 US disclosed
US-3931328-A CARBURETOR AMERICAN HOME PRODUCTS CORPORATION (US) 1976-01-06 US disclosed