SCHEMBL13347602

SCHEMBL13347602

CC(C)c1ccc(-c2nc(=O)n(C(C)C)c3ccccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 19/20 0.69
NR1I2 O75469 1/20 0.59
EGFR P00533 1/20 0.59
ADRA2A P08913 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
TBXA2R P21731 1/20 0.59
PTGS2 P35354 1/20 0.59
OPRD1 P41143 1/20 0.59
PDE4D Q08499 1/20 0.59

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
SCHEMBL7680445 0.88 NR1I2 (0.72) CASRNR1I2EGFRADRA2AADORA3
SCHEMBL13347126 0.83 CASR (0.76) CASRNR1I2EGFRADRA2AADORA3
SCHEMBL13347113 0.82 CASR (0.74) CASR
SCHEMBL13347117 0.82 CASR (1.00) CASR
SCHEMBL13347536 0.80 CASR (0.55) CASRNR1I2EGFRADRA2AADORA3
SCHEMBL13347576 0.80 CASR (0.76) CASRNR1I2EGFRADRA2AADORA3
SCHEMBL13347520 0.80 CASR (0.78) CASR
SCHEMBL13347121 0.80 CASR (1.00) CASR
SCHEMBL13347136 0.79 CASR (1.00) CASR
SCHEMBL13347526 0.78 CASR (0.73) CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
EP-2191832-A1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2010-06-02 EP disclosed
EP-1401451-B1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE NOVARTIS AG (CH) 2009-11-11 EP disclosed