SCHEMBL7140911

SCHEMBL7140911

COC(=O)[C@@H](CO)NC1CCc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.52
MTNR1B P49286 5/20 0.52
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
NPC1 O15118 1/20 0.43
MTOR P42345 1/20 0.43
RAB9A P51151 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
GRIN2B Q13224 2/20 0.43

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
SCHEMBL7145177 0.90 MAPT (0.43) MTNR1AMTNR1BKMT2APOLBCYP2C9
SCHEMBL8666726 0.90 MAPT (0.43) MTNR1AMTNR1BKMT2APOLBCYP2C9
SCHEMBL7137161 0.84 MTNR1A (0.51) MTNR1AMTNR1BMAOAMAOBKMT2A
SCHEMBL7137157 0.84 MTNR1A (0.51) MTNR1AMTNR1BMAOAMAOBKMT2A
SCHEMBL7137160 0.84 MTNR1A (0.51) MTNR1AMTNR1BMAOAMAOBKMT2A
Hydrochloric Acid SCHEMBL7145984 0.83 MTNR1A (0.50) MTNR1AMTNR1BMAOAMAOBTP53
SCHEMBL2980372 0.76 MTNR1A (0.56) MTNR1AMTNR1BMAOAMAOBKMT2A
SCHEMBL4738196 0.76 MTNR1A (0.56) MTNR1AMTNR1BMAOAMAOBKMT2A
SCHEMBL2822394 0.76 MTNR1A (0.56) MTNR1AMTNR1BMAOAMAOBKMT2A
SCHEMBL7029994 0.75 MTNR1A (0.54) MTNR1AMTNR1BMAOAMAOBKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0951465-B1 ALPHA-AMINO ACID AMIDES, PREPARATION THEREOF AND THE THERAPEUTICAL USE THEREOF CHIESI FARMA SPA (IT) 2003-04-16 EP disclosed
US-6114391-A A DERIVATIVES OF SERINAMIDE, GLYCINAMIDE, ALANINAMIDE AND PHENYLALANINAMIDE FOR TREATING NEUROLOGICAL DISEASES CHIESI FARMACEUTICI S.P.A. (IT) 2000-09-05 US disclosed