SCHEMBL1728046

SCHEMBL1728046

NC(=O)CN(CC1CCN(c2cc(-c3ccccc3)ncn2)CC1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
TSHR P16473 1/20 0.49
RECQL P46063 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HRH4 Q9H3N8 1/20 0.47
DPP4 P27487 4/20 0.43
LOXL2 Q9Y4K0 2/20 0.40
DPP8 Q6V1X1 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
ITGB2 P05107 3/20 0.39
ICAM1 P05362 3/20 0.39
ITGAL P20701 3/20 0.39
CKS1B P61024 5/20 0.38
SKP1 P63208 5/20 0.38
SKP2 Q13309 5/20 0.38
PKM P14618 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL1727769 0.83 CHRNA7 (0.43) NPC1TSHRRAB9ASMN1; SMN2KDM4E
SCHEMBL1727912 0.83 CNR1 (0.42) CKS1BSKP1SKP2PKM
SCHEMBL1730046 0.80 DKK1 (0.49) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1729376 0.78 P4HTM (0.39) TSHRSMN1; SMN2HRH4KDM4EALDH1A1
SCHEMBL1727885 0.76 KDM4E (0.41) TSHRRECQLKDM4EALDH1A1MAPT
SCHEMBL1729041 0.76 NPC1 (0.55) NPC1TSHRRECQLRAB9ASMN1; SMN2
SCHEMBL1729255 0.76 HTR1A (0.43) NPC1RAB9ASMN1; SMN2CKS1BSKP1
SCHEMBL3268917 0.75 CKS1B (0.47) NPC1TSHRRECQLRAB9ASMN1; SMN2
SCHEMBL1728042 0.75 RXRA (0.46) ITGB2ICAM1ITGALCKS1BSKP1
SCHEMBL1727687 0.74 PDE10A (0.43) SMN1; SMN2CKS1BSKP1SKP2KDM4E

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
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed