SCHEMBL245249

SCHEMBL245249

CC(=O)OC(=O)[C@@H](N)Cc1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
HTR2B P41595 1/20 0.55
DPP4 P27487 1/20 0.50
TACR1 P25103 3/20 0.48
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
MC4R P32245 2/20 0.46
MC5R P33032 2/20 0.46
MC3R P41968 2/20 0.46
OPRD1 P41143 2/20 0.46
PTPN1 P18031 1/20 0.45
PPARG P37231 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 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
SCHEMBL466696 1.00 HTR2A (0.55) HTR2AHTR2CHTR2BDPP4TACR1
SCHEMBL237566 0.87 HTR2A (0.57) HTR2AHTR2CHTR2BDPP4TACR1
SCHEMBL4633497 0.87 HTR2A (0.57) HTR2AHTR2CHTR2BDPP4TACR1
SCHEMBL5845125 0.87 HTR2A (0.57) HTR2AHTR2CHTR2BDPP4TACR1
Hydrochloric Acid SCHEMBL2896538 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BDPP4TACR1
Hydrochloric Acid SCHEMBL4633494 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BDPP4TACR1
SCHEMBL839749 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BDPP4TACR1
Hydrochloric Acid SCHEMBL237565 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BDPP4TACR1
SCHEMBL839943 0.85 HTR2A (0.55) HTR2AHTR2CHTR2BDPP4TACR1
SCHEMBL22995865 0.84 HTR2A (0.58) HTR2AHTR2CHTR2BDPP4TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1909814-B1 Peptides for induction and enhancement of apoptosis in tumor cells GEORG AUGUST UNIVERSITÄT GÖTTINGEN STIFTUNG ÖFFENTLICHEN RECHTS OHNE BEREICH HUMANMEDIZIN (DE) 2015-06-24 EP disclosed
US-8334258-B2 Administering gonadotropin-hormone-releasing hormone (GnRH) antagonist peptide for inducing/enhancing apoptosis of breast cancer or malignant melanoma or gynaecological cancer GEORG-AUGUST-UNIVERSITÄT GÖTTINGEN STIFTUNG ÖFFENTLICHEN RECHTS (UNIVERSITÄTSMEDIZIN) (DE) 2012-12-18 US disclosed
US-20120004182-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR INDUCTION AND ENHANCEMENT OF APOPTOSIS IN TUMOR CELLS GEORG-AUGUST-UNIVERSITAET GOETTINGEN STIFTUNG OEFFENTLICHEN RECHTS, UNIVERSITAETSMEDIZIN (DE) 2012-01-05 US disclosed
US-20080167250-A1 Method For Induction and Enhancement of Apoptosis In Tumor Cells GEORG-AUGUST-UNIVERSITAET GOETTINGEN, STIFTUNG OEFFENTLECHEN RECHTS, BEREICH HUMANMEDIZIN (DE) 2008-07-10 US disclosed
EP-1909814-A1 METHOD FOR INDUCTION AND ENHANCEMENT OF APOPTOSIS IN TUMOR CELLS Georg-August-Universität Göttingen Stiftung des Öffentlichen Rechts (Bereich Humanmedizin) (DE) 2008-04-16 EP disclosed
WO-2007012430-A1 METHOD FOR INDUCTION AND ENHANCEMENT OF APOPTOSIS IN TUMOR CELLS GEORG-AUGUST-UNIVERSITÄT-GÖTTINGEN (DE) 2007-02-01 WO disclosed