SCHEMBL8017209

SCHEMBL8017209

C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
HTR1E P28566 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
S1PR3 Q99500 1/20 0.43
TACR1 P25103 3/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
F2 P00734 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
XIAP P98170 1/20 0.41
MLX Q9UH92 1/20 0.41

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
SCHEMBL8013574 0.85 TACR1 (0.46) MEN1LMNAHTR1EHTTKMT2A
SCHEMBL9002757 0.82 TACR1 (0.44) TACR1OPRM1OPRD1OPRK1
SCHEMBL8017603 0.80 TACR1 (0.54) TACR1OPRM1OPRD1OPRK1
SCHEMBL25122261 0.80 CYP2C9 (0.47) MEN1HTTKMT2ACYP1A2CYP3A4
SCHEMBL25122224 0.80 CYP2C9 (0.47) MEN1HTTKMT2ACYP1A2CYP3A4
SCHEMBL25122248 0.80 CYP2C9 (0.47) MEN1HTTKMT2ACYP1A2CYP3A4
SCHEMBL25122378 0.80 CYP2C9 (0.47) MEN1HTTKMT2ACYP1A2CYP3A4
SCHEMBL25122278 0.80 CYP2C9 (0.47) MEN1HTTKMT2ACYP1A2CYP3A4
SCHEMBL23007438 0.80 CYP2C9 (0.47) MEN1HTTKMT2ACYP1A2CYP3A4
SCHEMBL9002892 0.79 CMA1 (0.50) TACR1

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-2000034804-A1 HIGH REFRACTIVE INDEX HYDROGEL COMPOSITIONS FOR OPHTHALMIC IMPLANTS BAUSCH & LOMB SURGICAL, INC. (US) 2000-06-15 WO claimed