SCHEMBL8439508

SCHEMBL8439508

CCN(CC)c1ccc(-n2ccnc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 6/20 0.55
▸ CYP1A2 P05177 4/20 0.55
▸ CYP2D6 P10635 4/20 0.55
▸ CYP2C9 P11712 4/20 0.55
▸ CYP2C19 P33261 4/20 0.55
▸ CYP19A1 P11511 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ LMNA P02545 1/20 0.55
▸ ENPP2 Q13822 1/20 0.55
▸ MKNK1 Q9BUB5 1/20 0.55
▸ MKNK2 Q9HBH9 1/20 0.55
▸ NOTUM Q6P988 1/20 0.55
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ BAZ2B Q9UIF8 1/20 0.51
▸ PSEN1 P49768 1/20 0.50
▸ PSEN2 P49810 1/20 0.50
▸ APH1B Q8WW43 1/20 0.50

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
SCHEMBL23346270 0.85 LMNA (0.62) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9321511 0.81 MAOA (0.61) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2532397 0.80 LMNA (0.78) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27958170 0.79 CYP3A4 (0.69) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13157827 0.79 LMNA (0.55) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL28701756 0.78 LMNA (0.75) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL255498 0.78 MAOB (0.62) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13632450 0.78 CYP3A4 (0.59) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4157447 0.76 PSEN1 (0.48) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12310548 0.75 CYP3A4 (0.59) CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19

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
US-5885788-A CONDUCTING THE MEASUREMENT OF CHOLESTEROL IN THE PRESENCE OF AN AMPHOTERIC SURFACTANT AND AN ALIPHATIC AMINE CONTAINING CARBOXYL GROUPS(S) OR SULFONIC ACID GROUP(S) WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-23 — — US disclosed
EP-0821239-A2 Method for measuring an amount of LDL-cholesterol WAKO PURE CHEMICAL INDUSTRIES, LTD (JP) 1998-01-28 — — EP disclosed
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