SCHEMBL14456818

SCHEMBL14456818

CC(C)(C)c1ccc(Oc2cccc(CN3CCN(C(=O)C4CCN(Cc5ccncc5)CC4)CC3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 4/20 0.60
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CCR8 P51685 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ POLB P06746 1/20 0.52

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
SCHEMBL14456824 0.90 FAAH (0.58) FAAHCYP3A4CYP2D6CCR8KDM4E
SCHEMBL14456739 0.90 CCR8 (0.60) FAAHCYP3A4CYP2D6CCR8KDM4E
SCHEMBL8223176 0.90 CCR8 (0.60) FAAHCYP3A4CYP2D6CCR8KDM4E
SCHEMBL14456817 0.89 FAAH (0.69) FAAH
SCHEMBL14456822 0.86 FAAH (0.59) FAAHCYP3A4CYP2D6KDM4EPOLB
SCHEMBL14456829 0.86 L3MBTL1 (0.56) CYP3A4CYP2D6
SCHEMBL14456811 0.85 CYP3A4 (0.71) CYP3A4CYP2D6KDM4EPOLB
SCHEMBL14456815 0.84 TP53 (0.60) FAAHCYP3A4CYP2D6
SCHEMBL14469470 0.82 FAAH (0.52) FAAHCYP3A4CYP2D6CCR8KDM4E
SCHEMBL14456776 0.81 KDM4E (0.70) FAAHCYP3A4CYP2D6KDM4E

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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