SCHEMBL6978088

SCHEMBL6978088

Cc1cc(C)cc(-c2[nH]c3ccc([N+](=O)[O-])cc3c2CCNCc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
GNRHR P30968 1/20 0.48

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
SCHEMBL6981037 0.83 MAPT (0.49)
SCHEMBL6982096 0.80 MAPT (0.46) POLB
Hydrochloric Acid SCHEMBL8699219 0.79 MAPT (0.45) POLB
SCHEMBL7908807 0.77 GNRHR (0.75) GNRHR
SCHEMBL8131347 0.77 POLB (0.49) POLB
SCHEMBL8668503 0.76 MAPT (0.43) GNRHR
SCHEMBL6984805 0.75 ALDH1A1 (0.42) POLB
SCHEMBL6978805 0.75 HDAC1 (0.45) GNRHR
SCHEMBL6981787 0.73 GNRHR (0.51) GNRHR
SCHEMBL7242989 0.72 MAPT (0.59) POLB

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 5 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
WO-2000004013-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 2000-01-27 WO disclosed