SCHEMBL8574839

SCHEMBL8574839

CCCCc1ccc2c(c1)[C@@H](CCNC(=O)NC)CCC2

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.48
MTNR1B P49286 15/20 0.48
NQO2 P16083 12/20 0.48
TRPV1 Q8NER1 1/20 0.43
CTSD P07339 1/20 0.43
BACE1 P56817 1/20 0.43
TAOK1 Q7L7X3 1/20 0.43
TAOK3 Q9H2K8 1/20 0.43

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
SCHEMBL8574840 1.00 MTNR1A (0.48) MTNR1AMTNR1BNQO2TRPV1CTSD
SCHEMBL8569619 0.94 MTNR1A (0.50) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8569617 0.94 MTNR1A (0.50) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8574129 0.93 MTNR1A (0.49) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8574127 0.93 MTNR1A (0.49) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8569261 0.89 MTNR1A (0.56) MTNR1AMTNR1BNQO2CTSDBACE1
SCHEMBL8569263 0.89 MTNR1A (0.56) MTNR1AMTNR1BNQO2CTSDBACE1
SCHEMBL8576126 0.89 MTNR1A (0.52) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8573589 0.86 MTNR1A (0.51) MTNR1AMTNR1BNQO2TRPV1
SCHEMBL8573593 0.86 MTNR1A (0.51) MTNR1AMTNR1BNQO2TRPV1

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-0721938-B1 Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-12-08 EP disclosed
EP-0721938-A1 Alkyl(hetero)cyclic compounds, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-07-17 EP disclosed