SCHEMBL5327101

SCHEMBL5327101

Cc1ccc(CNN2CCCC2Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.47
BACE1 P56817 2/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.46
BCHE P06276 1/20 0.45
TACR1 P25103 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FAAH O00519 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 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
SCHEMBL10700286 0.79 KMT2A (0.47) ALDH1A1HTT
SCHEMBL9840998 0.79 KMT2A (0.47) ALDH1A1HTT
Hydrochloric Acid SCHEMBL6338784 0.76 HTT (0.44) NPC1HTT
SCHEMBL8453440 0.74 HTT (0.48) NPC1HTT
SCHEMBL13162975 0.71 HTR1D (0.52)
SCHEMBL8459145 0.71 HTT (0.56) ACHEBACE1BCHENPC1ALDH1A1
SCHEMBL7469486 0.70 HSD11B1 (0.45)
SCHEMBL9841000 0.70 DPP4 (0.42) ACHEBACE1BCHENPC1ALDH1A1
SCHEMBL3764570 0.70 HTR6 (0.54)
SCHEMBL16488227 0.70 HTR6 (0.54)

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-2007124136-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2007-11-01 WO disclosed