SCHEMBL8905488

SCHEMBL8905488

CCCC(c1ccccc1)C1(c2ccccc2)C(=O)NN(c2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.38
OPRD1 P41143 5/20 0.38
OPRK1 P41145 5/20 0.38
OPRL1 P41146 5/20 0.38
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSD P07339 1/20 0.34
CTSE P14091 1/20 0.34
BACE1 P56817 1/20 0.34
ELANE P08246 3/20 0.33
CYP2C19 P33261 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL11119770 0.84 OPRM1 (0.36) OPRM1OPRD1OPRK1OPRL1LMNA
SCHEMBL68540 0.69 MMP2 (0.54) LMNAMEN1GAAALOX12KMT2A
SCHEMBL267675 0.68 ELANE (0.56) LMNAMEN1GAAALOX12KMT2A
SCHEMBL265915 0.65 GAA (0.41) LMNAMEN1GAAALOX12KMT2A
SCHEMBL4412405 0.65 GAA (0.50) LMNAMEN1GAAALOX12KMT2A
SCHEMBL8597730 0.62 MMP2 (0.48) LMNAMEN1GAAALOX12KMT2A
SCHEMBL31233809 0.59 MMP9 (0.57) MEN1KMT2APOLBTSHR
SCHEMBL2051340 0.59 PGR (0.39) LMNAMEN1GAAALOX12KMT2A
SCHEMBL107889 0.56 HRH1 (0.56) OPRM1OPRK1LMNAMEN1ALOX12
SCHEMBL432757 0.55 AOC3 (0.46) LMNAPOLB

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-5604206-A USEFUL FOR THE TREATMENT OF INFLAMMATION AND PAIN MEDICE CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1997-02-18 US disclosed