SCHEMBL11110191

SCHEMBL11110191

c1cc([C]2CCCC2)c2ocnc2c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35
ELANE P08246 1/20 0.34
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ACLY P53396 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30
PDE1A P54750 1/20 0.30
PDE1B Q01064 1/20 0.30
PDE1C Q14123 1/20 0.30

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
SCHEMBL6500200 0.82 ELANE (0.41) MTNR1AMTNR1BELANEHTR2AHTR2C
SCHEMBL24156068 0.71 NOTUM (0.43) MTNR1AMTNR1BELANE
SCHEMBL14280235 0.70 TDP1 (0.41) MTNR1AMTNR1BELANEACLY
SCHEMBL6508278 0.70 PDE4C (0.39) MTNR1AMTNR1BELANE
SCHEMBL17231489 0.70 ALDH1A1 (0.38) MTNR1AMTNR1BELANEHTR2AHTR2C
SCHEMBL17231504 0.69 ALDH1A1 (0.37) MTNR1AMTNR1BELANEHTR2AHTR2C
SCHEMBL23641593 0.69 MAPK14 (0.41) MTNR1AMTNR1BELANEHTR2AHTR2C
SCHEMBL17691868 0.68 HPRT1 (0.45)
SCHEMBL6843695 0.68 MTNR1A (0.33) MTNR1AMTNR1BELANEHTR2AHTR2C
SCHEMBL24155551 0.68 NOTUM (0.45) ACLYHCRTR1HCRTR2

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
EP-0116938-A1 Benzoheterocyclic carbamates USV PHARMACEUTICAL CORPORATION (US) 1984-08-29 EP disclosed