SCHEMBL4553401

SCHEMBL4553401

NCC1CCc2ccccc2N1Cc1ccccc1.[AlH3].[LiH]

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.58
MTNR1B P49286 2/20 0.57
POLB P06746 1/20 0.42
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
XIAP P98170 1/20 0.38
HTR1A P08908 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL430674 0.97 MTNR1A (0.61) MTNR1AMTNR1BPOLBHDAC1HDAC2
Lithium Ion SCHEMBL4553399 0.93 MTNR1A (0.57) MTNR1AMTNR1BPOLBHDAC1HDAC2
SCHEMBL10688284 0.84 MTNR1A (0.62) MTNR1AMTNR1BPOLBHDAC1HDAC2
SCHEMBL431428 0.78 HDAC3 (0.45) MTNR1AMTNR1BHDAC1HDAC2HDAC10
SCHEMBL28422916 0.77 MTNR1A (0.58) MTNR1AMTNR1BPOLBHDAC1HDAC2
SCHEMBL9456538 0.76 TP53 (0.45) MTNR1AMTNR1B
SCHEMBL4553781 0.76 MTNR1A (0.53) MTNR1APOLB
SCHEMBL22262517 0.76 MTNR1A (0.56) MTNR1AMTNR1BPOLB
SCHEMBL22262519 0.76 MTNR1A (0.56) MTNR1AMTNR1BPOLB
SCHEMBL29659985 0.76 MTNR1A (0.56) MTNR1AMTNR1BPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134678-A2 N-(5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Abbott Laboratories (US) 2009-12-23 EP disclosed
WO-2008079683-A2 N- (5, 6, 7, 8-TETRAHYDRONAPHTHALEN-1-YL) UREA DERIVATIVES AND RELATED COMPOUNDS AS TRPV1 VANILLOID RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN ABBOTT LABORATORIES (US) 2008-07-03 WO disclosed