SCHEMBL54831

SCHEMBL54831

O=C(CCl)NC1Cc2ccccc2C(c2ccccc2)C1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.77
MTNR1A P48039 2/20 0.77
MTNR1B P49286 2/20 0.77
CYP3A4 P08684 2/20 0.77
MEN1 O00255 1/20 0.77
CYP1A2 P05177 1/20 0.77
ALOX15 P16050 1/20 0.77
TSHR P16473 1/20 0.77
MAPK1 P28482 1/20 0.77
KMT2A Q03164 1/20 0.77
SIGMAR1 Q99720 10/20 0.59
ALDH1A1 P00352 1/20 0.47
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
CYP2D6 P10635 4/20 0.44
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 4/20 0.44

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
SCHEMBL3070121 0.87 MTNR1A (1.00) CYP2C19MTNR1AMTNR1BCYP3A4MEN1
SCHEMBL54783 0.87 MTNR1A (1.00) CYP2C19MTNR1AMTNR1BCYP3A4MEN1
SCHEMBL29759505 0.87 MTNR1A (1.00) CYP2C19MTNR1AMTNR1BCYP3A4MEN1
SCHEMBL3070126 0.87 MTNR1A (1.00) CYP2C19MTNR1AMTNR1BCYP3A4MEN1
SCHEMBL13038589 0.84 MTNR1A (0.72) CYP2C19MTNR1AMTNR1BCYP3A4MEN1
SCHEMBL53985 0.82 CYP2C19 (0.74) CYP2C19MTNR1AMTNR1BCYP3A4MEN1
SCHEMBL9731531 0.80 MTNR1A (0.53) CYP2C19MTNR1AMTNR1BCYP3A4MEN1
SCHEMBL4865313 0.78 MTNR1A (0.79) MTNR1AMTNR1BKMT2AALDH1A1HRH3
SCHEMBL23780653 0.74 SIGMAR1 (1.00) CYP2C19MTNR1AMTNR1BCYP3A4MEN1
SCHEMBL13862057 0.74 SIGMAR1 (1.00) CYP2C19MTNR1AMTNR1BCYP3A4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5071875-A Nervous system, psychological disorders; sleep cycle, skin dis coloration NORTHWESTERN UNIVERSITY (US) 1991-12-10 US claimed
EP-0420064-A2 Substituted 2-amidotetralins as melatonin agonists and antagonists NORTHWESTERN UNIVERSITY (US) 1991-04-03 EP claimed
EP-2120912-B1 METHODS OF CORRECTING IMBALANCE BETWEEN BONE RESORPTION AND BONE FORMATION AND KITS AND COMPOSITIONS THEREFOR CHU SAINTE JUSTINE (CA) 2013-04-03 EP disclosed
US-8222298-B2 Methods of correcting imbalance between bone resorption and bone formation and kits and compositions therefor CHU SAINTE-JUSTINE (CA) 2012-07-17 US disclosed
US-20120135930-A1 METHODS OF CORRECTING IMBALANCE BETWEEN BONE RESORPTION AND BONE FORMATION AND KITS AND COMPOSITIONS THEREFOR CHU SAINTE-JUSTINE 2012-05-31 US disclosed
US-8129432-B2 Method of correcting imbalance between bone resorption and bone formation and kits and compositions therefor CHU SAINTE-JUSTINE (CA) 2012-03-06 US disclosed
US-20100029567-A1 METHOD OF CORRECTING IMBALANCE BETWEEN BONE RESORPTION AND BONE FORMATION AND KITS AND COMPOSITIONS THEREFOR CHU SAINTE-JUSTINE (CA) 2010-02-04 US disclosed
EP-2120912-A1 METHODS OF CORRECTING IMBALANCE BETWEEN BONE RESORPTION AND BONE FORMATION AND KITS AND COMPOSITIONS THEREFOR Chu Sainte-justine (CA) 2009-11-25 EP disclosed
WO-2008098379-A1 METHODS OF CORRECTING IMBALANCE BETWEEN BONE RESORPTION AND BONE FORMATION AND KITS AND COMPOSITIONS THEREFOR CHU SAINTE-JUSTINE (CA) 2008-08-21 WO disclosed
US-5151446-A Neurological disorders or cardiovascular disorders NORTHWESTERN UNIVERSITY (US) 1992-09-29 US disclosed
US-5071875-A Nervous system, psychological disorders; sleep cycle, skin dis coloration NORTHWESTERN UNIVERSITY (US) 1991-12-10 US disclosed
EP-0420064-A2 Substituted 2-amidotetralins as melatonin agonists and antagonists NORTHWESTERN UNIVERSITY (US) 1991-04-03 EP disclosed