SCHEMBL5674841

SCHEMBL5674841

O=C(O)C1Cc2c([nH]c3c2CCC=C3)CN1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.43
EGLN1 Q9GZT9 1/20 0.40
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.31

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
SCHEMBL8856065 0.68
SCHEMBL4671656 0.67 NISCH (0.41) KDM4ECYP1A2CYP2D6HSD17B10ALOX15
Cyclomethyltryptophan SCHEMBL416558 0.65 KDM4E (0.71) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
Cyclomethyltryptophan SCHEMBL7889282 0.65 KDM4E (0.71) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
Cyclomethyltryptophan SCHEMBL416557 0.65 KDM4E (0.71) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
Cyclomethyltryptophan SCHEMBL29535380 0.65 KDM4E (0.71) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
Cyclomethyltryptophan SCHEMBL28419799 0.64 KDM4E (0.69) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
Cyclomethyltryptophan SCHEMBL10642614 0.64 KDM4E (0.69) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14654367 0.64 CYP2A6 (0.33) ALDH1A1
Cyclomethyltryptophan SCHEMBL30798742 0.63 KDM4E (0.44) GRIA2EGLN1KDM4ECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1616571-A2 Lysine containing peptides for treatment of heart disease Ardana Bioscience Limited (GB) 2006-01-18 EP disclosed
EP-1131083-B1 USE OF GROWTH HORMONE RELEASING COMPOUNDS AND THEIR ANTAGONISTS FOR THE TREATMENT OF TUMORS ARDANA BIOSCIENCE LTD (GB) 2004-01-21 EP disclosed
EP-1131083-A1 TREATMENT OF TUMORS BY ADMINISTRATION OF GROWTH HORMONE RELEASING COMPOUNDS AND THEIR ANTAGONISTS ASTA Medica Aktiengesellschaft (DE) 2001-09-12 EP disclosed
US-6124263-A Treatment of tumors by administration of growth hormone releasing compounds and their antagonists ASTA MEDICA AG (DE) 2000-09-26 US disclosed
WO-2000029011-A1 TREATMENT OF TUMORS BY ADMINISTRATION OF GROWTH HORMONE RELEASING COMPOUNDS AND THEIR ANTAGONISTS ZENTARIS AG (DE) 2000-05-25 WO disclosed
US-6025471-A EXHIBIT BINDING TO CARDIAC TISSUE AND NORMALIZE CARDIAC PRESSURE AFTER ADMINISTRATION, AS WELL AS DIAGNOSTIC AND THERAPEUTIC PROPERTIES FOR CERTAIN NEOPLASTIC TISSUES; PREFERABLY HAVE AT LEAST ONE LYSINE UNIT AND AT LEAST ONE ARDANA BIOSCIENCE LIMITED (GB) 2000-02-15 US disclosed
US-5932548-A ANTIISCHEMIC AGENTS USING PEPTIDES ARDANA BIOSCIENCE LIMITED (GB) 1999-08-03 US disclosed