SCHEMBL7411645

SCHEMBL7411645

COc1ccc(-c2ccc3[nH]c4c(c3c2)CC(OC(=O)c2ccccc2)CC4)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.49
HTR1D P28221 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PRKAG1 P54619 1/20 0.43
PRKAA1 Q13131 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
BAZ2B Q9UIF8 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
HTR1A P08908 1/20 0.41
CFTR P13569 1/20 0.41
KDR P35968 1/20 0.40

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
SCHEMBL7410108 0.92 HTR1D (0.58) HTR1BHTR1DKMT2AMEN1MAPT
SCHEMBL7410585 0.83 KMT2A (0.51) HTR1BHTR1DKMT2AMEN1MAPT
SCHEMBL7406466 0.83 KMT2A (0.50) HTR1BHTR1DKMT2AMEN1MAPT
SCHEMBL7409022 0.83 KMT2A (0.47) HTR1BHTR1DKMT2AMEN1MAPT
SCHEMBL7413807 0.82 KMT2A (0.46) HTR1BHTR1DKMT2AMEN1MAPT
SCHEMBL12127595 0.82 SIRT1 (0.51) HTR1BHTR1DKMT2AMEN1MAPT
SCHEMBL7413500 0.81 SIRT1 (0.50) HTR1BHTR1DKMT2AMEN1BAZ2B
SCHEMBL7407777 0.81 NR2E1 (0.53) KMT2AMEN1MAPT
SCHEMBL7407819 0.80 KMT2A (0.44) HTR1BHTR1DKMT2AMEN1SIRT1
Hydrochloric Acid SCHEMBL7417242 0.80 NR2E1 (0.52) KMT2AMEN1MAPT

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-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 EP claimed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 WO claimed
EP-0832099-A1 REVERSIBLE CYSTEINE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-04-01 EP disclosed
EP-0817778-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1998-01-14 EP disclosed
WO-1997047599-A1 SUCCINAMIDE DERIVATIVES USEFUL AS TNF- AND/OR MMP INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-12-18 WO disclosed
WO-1996040737-A1 REVERSIBLE CYSTEINE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-12-19 WO disclosed
WO-1996030353-A1 REVERSIBLE PROTEASE INHIBITORS ARRIS PHARMACEUTICAL CORPORATION (US) 1996-10-03 WO disclosed
US-4257952-A PSYCHOTROPIC DRUGS, ANALGESICS, ANTIHISTAMINES STERLING DRUG INC. (US) 1981-03-24 US disclosed
US-4172834-A ANALGESICS, ANTIHISTAMINES AND PSYCHOTROPIC AGENTS STERLING DRUG INC. (US) 1979-10-30 US disclosed
US-4062864-A ANALGESIC, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1977-12-13 US disclosed
US-3959309-A ANALGESICS, PSYCHOTROPIC, ANTIHISTAMINE STERLING DRUG INC. (US) 1976-05-25 US disclosed