SCHEMBL81121

SCHEMBL81121

COc1cccc2c1C(NC(=O)C1CC1)CCC2

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.57
MTNR1B P49286 1/20 0.57
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
TAS1R3 Q7RTX0 2/20 0.51
TAS1R1 Q7RTX1 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 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
SCHEMBL55493 0.82 ALDH1A1 (0.60) MTNR1AMTNR1BKMT2AMEN1TAS1R3
SCHEMBL9731367 0.81 ALDH1A1 (0.60) KMT2AMEN1TAS1R3TAS1R1TDP1
SCHEMBL9150411 0.79 ACHE (0.52) KMT2AMEN1TAS1R3TAS1R1TDP1
SCHEMBL20478656 0.74 DRD4 (0.50) MTNR1AMTNR1BKMT2AMEN1TAS1R3
SCHEMBL16536227 0.74 LIPG (0.56) KMT2AMEN1TAS1R3TAS1R1TDP1
SCHEMBL14376735 0.74 ALDH1A1 (0.69) KMT2AMEN1TAS1R3TAS1R1ALDH1A1
SCHEMBL81120 0.73 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL17296723 0.73 TDP1 (0.47) KMT2AMEN1TAS1R3TAS1R1TDP1
SCHEMBL15577014 0.71 DRD2 (0.49)
SCHEMBL4014628 0.71 MTNR1A (0.46) MTNR1AMTNR1B

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