SCHEMBL6982851

SCHEMBL6982851

CCOC(=O)c1ccc2[nH]c(-c3cc(C)cc(C)c3)c(CCN)c2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
HCRTR1 O43613 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 2/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 2/20 0.55
HTR6 P50406 1/20 0.52
HSD17B10 Q99714 3/20 0.51
HPGD P15428 2/20 0.51
MAPK1 P28482 2/20 0.51
POLB P06746 1/20 0.51
ALOX15 P16050 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.49
PLK4 O00444 1/20 0.49
DAPK3 O43293 1/20 0.49
DYRK3 O43781 1/20 0.49
JAK2 O60674 1/20 0.49

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
SCHEMBL8697321 0.89 KDM4E (0.53) KDM4EMAPTALDH1A1HCRTR1SMN1; SMN2
SCHEMBL8185257 0.81 GNRHR (0.49) KDM4EMAPTALDH1A1HCRTR1SMN1; SMN2
SCHEMBL6976457 0.81 GNRHR (0.49) GNRHR
SCHEMBL7829040 0.81 GNRHR (0.51) GNRHR
SCHEMBL8689635 0.80 PPARG (0.43) HTR6PPARG
SCHEMBL8184086 0.79 GNRHR (0.66) GNRHR
SCHEMBL7912408 0.78 CYP1A2 (0.66) HTR6HSD17B10MAPK1GNRHR
SCHEMBL6974460 0.78 GNRHR (0.79) GNRHR
SCHEMBL7995810 0.75 GNRHR (0.54) GNRHR
SCHEMBL68639 0.75 KDM4E (0.85) KDM4EMAPTALDH1A1HCRTR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095038-B1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2003-09-03 EP disclosed
EP-0873336-B1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 2002-03-27 EP disclosed
EP-1095038-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2001-05-02 EP disclosed
US-6200957-B1 USEFUL FOR TREATMENT OF VARIETY OF SEX-HORMONE RELATED AND OTHER CONDITIONS IN BOTH MEN AND WOMEN MERCK & CO., INC. 2001-03-13 US disclosed
US-6197975-B1 7-AZABICYCLO(2.2.1)HEPTANE-7-CARBONYL-SUBSTITUTED 2-PHENYLINDOLE DERIVATIVES; SEXUAL DISORDERS; ANTICARCINOGENIC AGENTS MERCK & CO. , INC. 2001-03-06 US disclosed
US-6156767-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 2000-12-05 US disclosed
EP-0994708-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 2000-04-26 EP disclosed
WO-2000004013-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 2000-01-27 WO disclosed
US-5849764-A Antagonists of gonadotropin releasing hormone MERCK & CO., INC. (US) 1998-12-15 US disclosed
WO-1998055123-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed
EP-0873336-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (a New Jersey corp.) (US) 1998-10-28 EP disclosed
EP-0871624-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1998-10-21 EP disclosed
US-5780437-A ADMINISTERING TO TREAT SEX-HORMONE RELATED DISORDERS MERCK & CO., INC. (US) 1998-07-14 US disclosed
US-5756507-A TREATING SEX HORMONE RELATED DISORDERS MERCK & CO., INC. (US) 1998-05-26 US disclosed
WO-1997021704-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO disclosed
WO-1997021703-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO disclosed