SCHEMBL19852377

SCHEMBL19852377

COc1ccc2c(c1)C(C(=O)N(C)C)CC2

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.55
MTNR1B P49286 9/20 0.53
NQO2 P16083 8/20 0.53
ACHE P22303 4/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
C5AR1 P21730 1/20 0.49

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
SCHEMBL19839761 0.89 MTNR1A (0.50) MTNR1AMTNR1BNQO2ACHECA1
SCHEMBL10469093 0.84 C5AR1 (0.49) MTNR1AMTNR1BNQO2ACHEC5AR1
SCHEMBL30746730 0.84 MTNR1A (0.56) MTNR1AMTNR1BNQO2
SCHEMBL19838588 0.84 MTNR1A (0.59) MTNR1AMTNR1BNQO2
SCHEMBL1842495 0.84 MTNR1A (0.56) MTNR1AMTNR1BNQO2
SCHEMBL10467839 0.82 C5AR1 (0.48) MTNR1AMTNR1BNQO2C5AR1
SCHEMBL2842735 0.82 MTNR1A (0.58) MTNR1AMTNR1BNQO2
Hydrochloric Acid SCHEMBL9628615 0.82 MTNR1A (0.54) MTNR1AMTNR1BNQO2
SCHEMBL2825083 0.82 MTNR1A (0.54) MTNR1AMTNR1BNQO2
SCHEMBL9628604 0.82 MTNR1A (0.54) MTNR1AMTNR1BNQO2

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
WO-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed