SCHEMBL11098901

SCHEMBL11098901

Cc1sc(C)c2c1C(=O)Nc1ccccc1N2C(=O)CN1CCN(C)CC1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.71
ALDH1A1 P00352 2/20 0.71
CYP1A2 P05177 2/20 0.71
CYP3A4 P08684 2/20 0.71
CYP2C9 P11712 1/20 0.71
TSHR P16473 1/20 0.71
CYP2C19 P33261 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
LMNA P02545 3/20 0.69
CHRM2 P08172 3/20 0.53
CHRM1 P11229 3/20 0.53
CHRM4 P08173 2/20 0.53
CHRM3 P20309 2/20 0.53
USP2 O75604 1/20 0.53
CHRM5 P08912 1/20 0.53
GMNN O75496 1/20 0.52
APEX1 P27695 1/20 0.52

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
SCHEMBL11181937 0.92 ALDH1A1 (0.59) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL11296600 0.91 ALDH1A1 (0.58) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL11403393 0.89 CYP1A2 (0.56) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL10515489 0.88 ALDH1A1 (0.55) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL11205002 0.84 ALDH1A1 (0.51) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL11188095 0.84 CYP2D6 (0.74) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL11180591 0.83 ALDH1A1 (0.49) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C9
Telenzepine SCHEMBL49345 0.83 CYP2D6 (1.00) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C9
Telenzepine SCHEMBL184401 0.82 LMNA (1.00) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C9
Telenzepine SCHEMBL2006403 0.82 CYP2D6 (0.98) CYP2D6ALDH1A1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0039519-B1 SUBSTITUTED THIENOTRICYCLES, PROCESS FOR THEIR PREPARATION AND THERAPEUTICAL AGENTS CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-05-02 EP disclosed
US-4381301-A Substituted tricyclic thieno compounds, their synthesis, their use, their compositions and their medicaments BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1983-04-26 US disclosed
WO-1981003173-A1 THIENO-TRICYCLIC COMPOUNDS,METHOD FOR THE PREPARATION THEREOF,UTILIZATION OF SUCH COMPOUNDS AND DRUGS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1981-11-12 WO disclosed
EP-0039519-A1 Substituted thienotricycles, process for their preparation and therapeutical agents containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1981-11-11 EP disclosed