SCHEMBL7137157

SCHEMBL7137157

NC(=O)C(CO)NC1CCc2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.51
MTNR1B P49286 4/20 0.51
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
GRIN2B Q13224 4/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PRMT5 O14744 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
MAPT P10636 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL7137161 1.00 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2GRIN2B
SCHEMBL7137160 1.00 MTNR1A (0.51) MTNR1AMTNR1BCA1CA2GRIN2B
Hydrochloric Acid SCHEMBL7145984 0.99 MTNR1A (0.50) MTNR1AMTNR1BCA1CA2GRIN2B
Hydrochloric Acid SCHEMBL6052543 0.88 MAPT (0.44) MTNR1AMTNR1BCA1CA2PRMT5
Hydrochloric Acid SCHEMBL7144136 0.88 MAPT (0.44) MTNR1AMTNR1BCA1CA2PRMT5
SCHEMBL7140911 0.84 MTNR1A (0.52) MTNR1AMTNR1BCA1CA2GRIN2B
Hydrochloric Acid SCHEMBL27504650 0.77 CA1 (0.47) CA1CA2MAOAMAOB
SCHEMBL7145514 0.76 MAPT (0.46) MTNR1AMTNR1BGRIN2BPRMT5MAPT
SCHEMBL7145525 0.76 MAPT (0.46) MTNR1AMTNR1BGRIN2BPRMT5MAPT
SCHEMBL2822394 0.76 MTNR1A (0.56) MTNR1AMTNR1BGRIN2BMAOAMAOB

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