SCHEMBL1709215

SCHEMBL1709215

O=C(c1ccccc1)N1CCC2(CC1)CC2CNc1ccccc1Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.49
CCR8 P51685 2/20 0.46
KCNH2 Q12809 2/20 0.46
KCNA5 P22460 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
GAA P10253 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 2/20 0.41
PKM P14618 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 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
SCHEMBL1709235 0.79 SCN9A (0.66) NAMPTSMN1; SMN2MEN1KMT2ASCN9A
SCHEMBL9965409 0.67 MEN1 (0.52) CCR8KCNH2KCNA5ACHEBACE1
SCHEMBL1286789 0.66 HPGD (0.53) ACHEKDM4EALDH1A1HTTTSHR
SCHEMBL1471644 0.66 OPRM1 (0.49) GAASMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL641275 0.65 ACHE (0.69) ACHEBACE1GAASMN1; SMN2MEN1
SCHEMBL7835963 0.64 ADRA2C (0.58) GAASMN1; SMN2MEN1KMT2APKM
SCHEMBL1286799 0.64 BLM (0.48) ACHEGAASMN1; SMN2MEN1KMT2A
SCHEMBL23024412 0.63 TSHR (0.52) CCR8KCNH2GAASMN1; SMN2MEN1
SCHEMBL5394977 0.63 CCR8 (1.00) CCR8KCNH2MEN1KMT2AKDM4E
SCHEMBL30529335 0.63 TSHR (0.52) CCR8KCNH2GAASMN1; SMN2MEN1

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-2012047703-A2 CYCLOPROPYL-SPIRO-PIPERIDINES USEFUL AS SODIUM CHANNEL BLOCKERS SCHERING CORPORATION (US) 2012-04-12 WO disclosed