SCHEMBL8838148

SCHEMBL8838148

COC(=O)CCN(CCc1ccccc1)C1CCN(C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 4/20 0.48
▸ FAAH O00519 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47

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
SCHEMBL27471441 0.81 CYP1A2 (0.46) MGLLFAAHCYP1A2CYP2D6
SCHEMBL8487645 0.78 CYP1A2 (0.48) MGLLFAAHCYP1A2CYP2D6
SCHEMBL27499710 0.77 CYP1A2 (0.55) MGLLFAAHCYP1A2CYP2D6
SCHEMBL8479242 0.77 CYP1A2 (0.57) MGLLFAAHCYP1A2CYP2D6
SCHEMBL17825504 0.76 HTT (0.61) CYP2D6
SCHEMBL27486362 0.76 CYP1A2 (0.53) MGLLFAAHCYP1A2CYP2D6
SCHEMBL8484132 0.75 CYP1A2 (0.55) MGLLFAAHCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL8838020 0.75 OPRM1 (0.57) —
SCHEMBL9173899 0.75 CYP1A2 (0.60) MGLLFAAHCYP1A2CYP2D6
SCHEMBL2477580 0.75 HTT (0.69) MGLLFAAHCYP1A2CYP2D6

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-5700801-A ANTIINFLAMMATORY AGENTS, BONE DISORDERS KARL THOMAE, GMBH (DE) 1997-12-23 — — US disclosed
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