SCHEMBL11111280

SCHEMBL11111280

CC(Oc1ccccc1)C(C)(O)CN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.42
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
LMNA P02545 1/20 0.39
SLC6A4 P31645 4/20 0.37
MAOA P21397 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A3 Q01959 3/20 0.36
KCNK2 O95069 1/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
SLC7A5 Q01650 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2D6 P10635 1/20 0.35
RIPK1 Q13546 1/20 0.34

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
SCHEMBL16404283 0.84 LMNA (0.40) MTNR1AMTNR1BLMNASLC6A4CYP1A2
SCHEMBL12450275 0.82 LMNA (0.47) MTNR1AMTNR1BLMNAMAOAPTGS1
SCHEMBL11663263 0.79 LMNA (0.41) MTNR1AMTNR1BLMNAMAOACYP1A2
SCHEMBL11911977 0.74 ATM (0.40) MTNR1AMTNR1BLMNASLC6A4MAOA
SCHEMBL14463423 0.74 ATM (0.40) MTNR1AMTNR1BLMNASLC6A4MAOA
SCHEMBL8718949 0.74 ATM (0.40) MTNR1AMTNR1BLMNASLC6A4MAOA
SCHEMBL11022205 0.74 KDM4E (0.40) MTNR1AMTNR1BLMNASLC6A4MAOA
SCHEMBL28097868 0.72 LMNA (0.42) MTNR1AMTNR1BLMNACYP1A2GAA
SCHEMBL25825906 0.72 LMNA (0.42) MTNR1AMTNR1BLMNASLC6A4MAOA
SCHEMBL82057 0.70 MTNR1A (0.45) MTNR1AMTNR1BLMNACYP1A2GAA

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-4456616-A 7-Oxabicycloheptane substituted amino prostaglandin analogs and their use in inhibiting platelet aggregation and bronchoconstriction E. R. SQUIBB & SONS, INC. (US) 1984-06-26 US disclosed