SCHEMBL8960852

SCHEMBL8960852

O=C(NCCc1cc(Cc2ccccc2)cc2ccccc12)C1CCC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.57
MTNR1B P49286 6/20 0.57
NQO2 P16083 1/20 0.57
USP2 O75604 1/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL8960845 0.96 MTNR1A (0.54) MTNR1AMTNR1BNQO2USP2ALDH1A1
SCHEMBL8961110 0.88 MTNR1A (0.65) MTNR1AMTNR1BNQO2USP2ALDH1A1
SCHEMBL6076229 0.87 MTNR1A (0.52) MTNR1AMTNR1BNQO2USP2ALDH1A1
SCHEMBL6075426 0.86 MTNR1A (0.51) MTNR1AMTNR1BNQO2USP2ALDH1A1
SCHEMBL8961143 0.85 MTNR1A (0.74) MTNR1AMTNR1BNQO2ALDH1A1BCHE
SCHEMBL8070297 0.85 MTNR1A (0.58) MTNR1AMTNR1BNQO2USP2ALDH1A1
SCHEMBL8961010 0.85 MTNR1A (0.73) MTNR1AMTNR1BNQO2ALDH1A1BCHE
SCHEMBL8961103 0.84 MTNR1A (0.72) MTNR1AMTNR1BNQO2ALDH1A1BCHE
SCHEMBL8961119 0.84 MTNR1A (0.65) MTNR1AMTNR1BNQO2
SCHEMBL8961109 0.83 MTNR1A (0.71) MTNR1AMTNR1BNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552418-A FOR TREATING DISORDERS OF THE MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1996-09-03 US disclosed