SCHEMBL54832

SCHEMBL54832

O=C(NC1CCCc2ccccc21)C(Cl)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.61
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
TAS1R3 Q7RTX0 5/20 0.57
TAS1R1 Q7RTX1 5/20 0.57
TAS1R2 Q8TE23 3/20 0.56
EPHX1 P07099 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TAOK1 Q7L7X3 1/20 0.54
LMNA P02545 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
CYP2D6 P10635 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL9731535 0.81 KMT2A (0.61) HTTALDH1A1KMT2AMEN1TAS1R3
SCHEMBL24105898 0.81 HTT (0.63) HTTALDH1A1KMT2AMEN1TAS1R3
SCHEMBL12308334 0.81 HTT (0.63) HTTALDH1A1KMT2AMEN1TAS1R3
SCHEMBL24105900 0.81 HTT (0.63) HTTALDH1A1KMT2AMEN1TAS1R3
SCHEMBL9011724 0.80 HTT (0.75) HTTALDH1A1KMT2AMEN1TAS1R3
SCHEMBL29131608 0.78 HTT (0.60) HTTALDH1A1KMT2AMEN1TAS1R3
SCHEMBL29131611 0.78 HTT (0.60) HTTALDH1A1KMT2AMEN1TAS1R3
SCHEMBL24710086 0.77 HTT (0.71) HTTALDH1A1KMT2AMEN1TAS1R3
SCHEMBL30133389 0.77 HTT (0.71) HTTALDH1A1KMT2AMEN1TAS1R3
SCHEMBL30277147 0.77 HTT (0.71) HTTALDH1A1KMT2AMEN1TAS1R3

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