SCHEMBL6969006

SCHEMBL6969006

C1=C(c2ccccn2)CC(Cc2ccccc2)NC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.41
POLB P06746 2/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CCR1 P32246 1/20 0.35
CCR5 P51681 1/20 0.35
CCR8 P51685 1/20 0.35
METAP1 P53582 1/20 0.35
BLM P54132 1/20 0.35
HIF1A Q16665 1/20 0.35
DOHH Q9BU89 1/20 0.35
P4HTM Q9NXG6 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
NFKB1 P19838 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL8312119 0.86 POLB (0.40) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL5265951 0.79 POLB (0.44) POLBKMT2AMEN1
SCHEMBL10374921 0.76 HCRTR1 (0.37) HIF1A
SCHEMBL5115653 0.76 KDM4E (0.42) POLBKDM4ELMNACYP1A2CCR1
SCHEMBL9773112 0.75 AXL (0.35) POLBKMT2AMEN1KDM4ELMNA
SCHEMBL7444323 0.73 POLB (0.41) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL6961333 0.73 POLB (0.39) POLBKMT2AMEN1
SCHEMBL5543765 0.73 POLB (0.39) POLBKMT2AMEN1
SCHEMBL7560334 0.73 POLB (0.39) POLBKMT2AMEN1
SCHEMBL10372460 0.71 CNR1 (0.37) DRD2DRD4DRD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988295-A4 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2003-08-13 EP disclosed
EP-0988295-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-29 EP disclosed
WO-1998057940-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-12-23 WO disclosed