SCHEMBL53322

SCHEMBL53322

O=C(CCl)NC1CCc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 1.00
MTNR1B P49286 6/20 1.00
ALDH1A1 P00352 1/20 0.54
GRM7 Q14831 1/20 0.52
MAPT P10636 2/20 0.51
MAOA P21397 1/20 0.51
MAOB P27338 1/20 0.51
GRIN2B Q13224 3/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
SIGMAR1 Q99720 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
SCHEMBL4865313 0.89 MTNR1A (0.79) MTNR1AMTNR1BALDH1A1GRM7MAPT
SCHEMBL4112887 0.84 MTNR1A (1.00) MTNR1AMTNR1BMAPTMAOAMAOB
SCHEMBL827706 0.84 MTNR1A (1.00) MTNR1AMTNR1BMAPTMAOAMAOB
SCHEMBL2597383 0.84 MTNR1A (1.00) MTNR1AMTNR1BMAPTMAOAMAOB
SCHEMBL9731275 0.82 MTNR1A (1.00) MTNR1AMTNR1BMAPTMAOAMAOB
SCHEMBL9731832 0.81 MTNR1A (0.91) MTNR1AMTNR1BMAPTMAOAMAOB
SCHEMBL30612411 0.80 MTNR1A (0.73) MTNR1AMTNR1BGRM7MAOAMAOB
SCHEMBL9851515 0.80 MTNR1A (0.73) MTNR1AMTNR1BGRM7MAOAMAOB
SCHEMBL9731843 0.79 MTNR1A (0.67) MTNR1AMTNR1BGRIN2BCA1CA2
SCHEMBL1970411 0.79 MTNR1A (1.00) MTNR1AMTNR1BMAOAMAOBGRIN2B

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