SCHEMBL11637871

SCHEMBL11637871

CC1CCc2ccc(OC(O)C3CN(C(C)C)CCO3)cc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.36
MTNR1B P49286 4/20 0.36
MTNR1A P48039 3/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
NQO2 P16083 1/20 0.33
ACHE P22303 3/20 0.33

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
SCHEMBL11635461 0.83 HRH3 (0.41) HRH3HTR2BKDM2B
SCHEMBL11634298 0.74 HRH3 (0.38) HRH3HTR2B
SCHEMBL11629586 0.65 ACHE (0.36) MTNR1BMTNR1ANQO2ACHE
SCHEMBL13306290 0.64 HTR2C (0.66) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL13306294 0.64 HTR2C (0.66) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL12593301 0.64 HTR2C (0.66) MTNR1BMTNR1AHTR2AHTR2CHTR2B
SCHEMBL14374374 0.64 ACHE (0.50) MTNR1AACHE
SCHEMBL23104057 0.64 HRH3 (0.39) HRH3HTR2B
SCHEMBL23114668 0.64 HRH3 (0.39) HRH3HTR2B
SCHEMBL23104062 0.64 HRH3 (0.39) HRH3HTR2B

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-4109088-A ANTIDEPRESSANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1978-08-22 US disclosed