SCHEMBL14469470

SCHEMBL14469470

C=C/C=C(\C=C/N)CN1CCC(C(=O)N2CCN(Cc3cccc(Oc4ccc(C(C)(C)C)cc4)c3)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.52
▸ KDM4E B2RXH2 4/20 0.47
▸ POLB P06746 1/20 0.47
▸ CCR8 P51685 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL14469476 0.92 FAAH (0.50) FAAHKDM4EPOLBCCR8ALDH1A1
SCHEMBL14469462 0.90 FAAH (0.50) FAAHKDM4EPOLBALDH1A1LMNA
SCHEMBL14469472 0.89 FAAH (0.51) FAAHKDM4EPOLBCCR8ALDH1A1
SCHEMBL14469456 0.85 SMN1; SMN2 (0.50) FAAHKDM4EPOLBALDH1A1HTT
SCHEMBL14469463 0.83 KDM4E (0.48) KDM4EPOLBALDH1A1LMNAHTT
SCHEMBL14469553 0.83 KDM4E (0.61) FAAHKDM4EPOLBALDH1A1LMNA
SCHEMBL14456818 0.82 FAAH (0.60) FAAHKDM4EPOLBCCR8CYP3A4
SCHEMBL14469464 0.82 MEN1 (0.45) KDM4EPOLBALDH1A1LMNAHTT
SCHEMBL14469559 0.82 KDM4E (0.46) KDM4EPOLBALDH1A1LMNAHTT
SCHEMBL14469179 0.81 ADRB2 (0.54) FAAHKDM4EPOLBALDH1A1HTT

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-2007075555-A2 COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT SCHERING CORPORATION (US) 2007-07-05 — — WO disclosed
Send feedback