SCHEMBL7741773

SCHEMBL7741773

COc1ccc2[nH]cc3c2c1CCC3CCN

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.65
MTNR1B P49286 10/20 0.65
HTR2A P28223 2/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40

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
SCHEMBL7740360 0.90 MTNR1A (0.67) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL7735737 0.81 MTNR1A (0.72) MTNR1AMTNR1B
SCHEMBL7735692 0.79 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL7741788 0.78 MTNR1B (0.67) MTNR1AMTNR1B
SCHEMBL6636125 0.76 MTNR1A (0.67) MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL7743440 0.75 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL7740248 0.75 HTR1A (0.56) MTNR1AMTNR1B
SCHEMBL7735707 0.75 DRD2 (0.46) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL6635793 0.74 MTNR1B (0.65) MTNR1AMTNR1B
SCHEMBL6636448 0.69 MTNR1A (0.64) MTNR1AMTNR1B

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