SCHEMBL6945451

SCHEMBL6945451

O=C(O)NN(Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.62
SPPL2A Q8TCT8 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.50
CTRB1 P17538 2/20 0.48
MLNR O43193 1/20 0.47
NR1I2 O75469 1/20 0.47
SLCO2B1 O94956 1/20 0.47
ABCB11 O95342 1/20 0.47
ABCB1 P08183 1/20 0.47
UGT1A1 P22309 1/20 0.47
CCKAR P32238 1/20 0.47
OPRK1 P41145 1/20 0.47
GHSR Q92847 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45
NCSTN Q92542 2/20 0.45

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
SCHEMBL5929768 0.90 CTSB (0.56) CTSBSPPL2ATRPM8CTRB1TACR1
SCHEMBL5929818 0.90 CTSB (0.56) CTSBSPPL2ATRPM8CTRB1TACR1
SCHEMBL6443918 0.88 CTSB (0.57) CTSBSPPL2ATRPM8MLNRNR1I2
SCHEMBL6443922 0.88 CTSB (0.57) CTSBSPPL2ATRPM8MLNRNR1I2
SCHEMBL6712703 0.85 MLNR (0.55) CTSBSPPL2ATRPM8MLNRNR1I2
SCHEMBL6443553 0.85 MLNR (0.55) CTSBSPPL2ATRPM8MLNRNR1I2
SCHEMBL6443555 0.85 MLNR (0.55) CTSBSPPL2ATRPM8MLNRNR1I2
SCHEMBL8331508 0.85 CTSB (0.54) CTSBSPPL2ATRPM8MLNRNR1I2
SCHEMBL6447570 0.85 CTSB (0.66) CTSBSPPL2ATRPM8CTRB1PSEN1
SCHEMBL6447573 0.85 CTSB (0.66) CTSBSPPL2ATRPM8CTRB1PSEN1

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-0633881-B1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS NARHEX LTD (HK) 2003-10-29 EP claimed
EP-0633881-B1 AMINE DERIVATIVES OF OXO- AND HYDROXY-SUBSTITUED HYDROCARBONS NARHEX LTD (HK) 2003-10-29 EP disclosed