SCHEMBL55965

SCHEMBL55965

CCC(=O)NC1Cc2ccccc2C(Cc2ccccc2)C1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.66
MTNR1B P49286 8/20 0.66
CYP1A2 P05177 2/20 0.66
ALOX15 P16050 2/20 0.66
MEN1 O00255 1/20 0.66
CYP3A4 P08684 1/20 0.66
TSHR P16473 1/20 0.66
MAPK1 P28482 1/20 0.66
CYP2C19 P33261 1/20 0.66
KMT2A Q03164 1/20 0.66
GRM7 Q14831 1/20 0.41
MAPT P10636 2/20 0.41
CYP2C9 P11712 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
FASN P49327 1/20 0.40

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
SCHEMBL9731531 0.88 MTNR1A (0.53) MTNR1AMTNR1BCYP1A2ALOX15MEN1
SCHEMBL55304 0.87 MTNR1A (0.49) MTNR1AMTNR1BCYP1A2ALOX15MEN1
SCHEMBL9731502 0.81 MTNR1A (0.56) MTNR1AMTNR1BCYP1A2ALOX15MEN1
SCHEMBL29759505 0.80 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2ALOX15MEN1
SCHEMBL3070126 0.80 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2ALOX15MEN1
SCHEMBL54783 0.80 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2ALOX15MEN1
SCHEMBL3070121 0.80 MTNR1A (1.00) MTNR1AMTNR1BCYP1A2ALOX15MEN1
SCHEMBL6359193 0.76 MTNR1A (0.79) MTNR1AMTNR1BCYP1A2ALOX15MEN1
SCHEMBL9731623 0.74 MAPT (0.43) MTNR1AMTNR1BCYP1A2ALOX15MEN1
SCHEMBL28453641 0.72 OPRM1 (0.44) SIGMAR1

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