SCHEMBL6634971

SCHEMBL6634971

Cc1ccc2cccc3c2c1CCC3NC(=O)CCl

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
MTNR1A P48039 10/20 0.43
MTNR1B P49286 10/20 0.43
TRPV1 Q8NER1 1/20 0.38
LMNA P02545 1/20 0.38
USP2 O75604 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL6634236 0.83 MTNR1A (0.48) MTNR1AMTNR1BTRPV1TAS1R3TAS1R1
SCHEMBL4858868 0.76 ALDH1A1 (0.57) ALDH1A1MTNR1AMTNR1BTAS1R3TAS1R1
SCHEMBL14698658 0.71 ALDH1A1 (0.83) ALDH1A1MTNR1AMTNR1BTAS1R3TAS1R1
SCHEMBL30985347 0.71 ALDH1A1 (0.83) ALDH1A1MTNR1AMTNR1BTAS1R3TAS1R1
SCHEMBL4858887 0.71 ALDH1A1 (0.83) ALDH1A1MTNR1AMTNR1BTAS1R3TAS1R1
SCHEMBL4866618 0.71 ALDH1A1 (0.83) ALDH1A1MTNR1AMTNR1BTAS1R3TAS1R1
SCHEMBL4711698 0.68 TRPV1 (0.53) MTNR1AMTNR1BTRPV1LMNAUSP2
SCHEMBL16709695 0.67 TRPV1 (0.52) TRPV1LMNAUSP2TAS1R3TAS1R1
SCHEMBL27898825 0.67 HSD17B2 (0.53) ALDH1A1TRPV1
SCHEMBL53323 0.66 ALDH1A1 (1.00) ALDH1A1TAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1047664-B1 NOVEL TRICYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2004-05-19 EP claimed
US-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US claimed
EP-1047664-B1 NOVEL TRICYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2004-05-19 EP disclosed
US-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed