SCHEMBL15919634

SCHEMBL15919634

O=C(Nc1ccccc1)N1CCC(Nc2ccccc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
FAAH O00519 4/20 0.62
ALDH1A1 P00352 1/20 0.62
NPC1 O15118 1/20 0.60
TP53 P04637 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
MAPT P10636 2/20 0.58
POLB P06746 2/20 0.58
NPSR1 Q6W5P4 1/20 0.57
GAA P10253 1/20 0.56
ME2 P23368 1/20 0.56
ME1 P48163 1/20 0.56
ME3 Q16798 1/20 0.56

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
SCHEMBL15919651 0.92 FAAH (0.65) KDM4EFAAHALDH1A1NPC1TP53
SCHEMBL15919636 0.88 FAAH (0.67) KDM4EFAAHALDH1A1NPC1TP53
SCHEMBL15919638 0.88 MAPT (0.70) FAAHALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL2897923 0.86 KDM4E (0.77) KDM4EFAAHALDH1A1SMN1; SMN2CYP2C9
SCHEMBL10729724 0.86 KDM4E (0.77) KDM4EFAAHALDH1A1SMN1; SMN2CYP2C9
SCHEMBL15920276 0.85 MAPT (0.70) KDM4EFAAHALDH1A1NPC1RAB9A
SCHEMBL3801054 0.85 SPR (0.50) KDM4EALDH1A1NPC1TP53RAB9A
SCHEMBL7096012 0.83 KDM4E (0.69) KDM4EFAAHALDH1A1NPC1TP53
SCHEMBL7465143 0.82 KDM4E (0.51) KDM4EMAPT
SCHEMBL7465149 0.82 KDM4E (0.72) KDM4EFAAHALDH1A1NPC1TP53

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-2014116684-A1 NON-PEPTIDIC NEUROPEPTIDE Y RECEPTOR MODULATORS ROBERTS EDWARD (US) 2014-07-31 WO disclosed