SCHEMBL7743375

SCHEMBL7743375

COc1ccc2cc3c(cc2c1)C(CN)CC3

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
ADRA1D P25100 1/20 0.49
ADRA1A P35348 1/20 0.49
ADRA1B P35368 1/20 0.49
MTNR1A P48039 10/20 0.46
MTNR1B P49286 9/20 0.44
NQO2 P16083 7/20 0.44
HTR2C P28335 2/20 0.44
HTR2A P28223 1/20 0.43
HRH1 P35367 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
SCHEMBL7743379 0.92 HTR6 (0.59) HTR6
SCHEMBL7743420 0.92 HTR6 (0.59) HTR6
SCHEMBL9630431 0.85 MTNR1A (0.60) MTNR1AMTNR1BNQO2HTR2A
SCHEMBL3288369 0.85 HTR6 (0.60) HTR6ADRA2AADRA2BADRA2CADRA1D
Hydrochloric Acid SCHEMBL10395043 0.84 MTNR1A (0.59) MTNR1AMTNR1BNQO2
SCHEMBL7740227 0.78 MTNR1A (0.78) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL3714924 0.77 HTR6 (0.57) HTR6MTNR1AMTNR1BNQO2
SCHEMBL2207814 0.77 HTR6 (0.71) HTR6
Hydrochloric Acid SCHEMBL9522094 0.75 HTR6 (0.70) HTR6
Hydrochloric Acid SCHEMBL30299240 0.75 HTR6 (0.70) HTR6

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-6423870-B1 ANTICOAGULANTS; CIRCADIAN RHYTHM DISORDERS; SLEEP DISORDERS LES LABORATOIRES SERVIER (FR) 2002-07-23 US disclosed