SCHEMBL14456739

SCHEMBL14456739

O=C(C1CCN(Cc2ccncc2)CC1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1

nearest known ligand 0.78

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCR8 P51685 3/20 0.60
▸ FAAH O00519 3/20 0.60
▸ MGLL Q99685 2/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ CYP2D6 P10635 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ TRPV6 Q9H1D0 1/20 0.59
▸ KCNH2 Q12809 1/20 0.59
▸ MEN1 O00255 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ KMT2A Q03164 1/20 0.58

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
SCHEMBL8223176 1.00 CCR8 (0.60) CCR8FAAHMGLLCYP3A4CYP2D6
SCHEMBL14456817 0.93 FAAH (0.69) FAAH
SCHEMBL14456824 0.92 FAAH (0.58) CCR8FAAHCYP3A4CYP2D6KDM4E
SCHEMBL14456815 0.92 TP53 (0.60) FAAHMGLLCYP3A4CYP2D6SMN1; SMN2
SCHEMBL14456776 0.90 KDM4E (0.70) FAAHCYP3A4CYP2D6KDM4EALDH1A1
SCHEMBL14456818 0.90 FAAH (0.60) CCR8FAAHCYP3A4CYP2D6KDM4E
SCHEMBL14456811 0.89 CYP3A4 (0.71) CYP3A4CYP2D6KDM4EALDH1A1MEN1
SCHEMBL14456822 0.89 FAAH (0.59) FAAHCYP3A4CYP2D6KDM4EALDH1A1
SCHEMBL14456748 0.88 KMT2A (0.73) CYP3A4CYP2D6KDM4EALDH1A1SMN1; SMN2
SCHEMBL14456812 0.86 CYP3A4 (0.56) CYP3A4CYP2D6KDM4EALDH1A1LMNA

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-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 — — US disclosed
US-7238688-B2 Piperidine compounds SCHERING CORPORATION (US) 2007-07-03 — — US disclosed
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