SCHEMBL20847693

SCHEMBL20847693

Cc1ccc(N2CCN(Cc3ccccc3)CC2)cn1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.61
CHRM4 P08173 1/20 0.54
SIGMAR1 Q99720 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
NCF1 P14598 1/20 0.51
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
TP53 P04637 1/20 0.50
MC4R P32245 1/20 0.50

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
SCHEMBL20804834 0.82 DRD4 (0.56) DRD4SIGMAR1LMNANPC1RAB9A
SCHEMBL22388848 0.82 DRD4 (0.56) DRD4CHRM4SIGMAR1LMNAPOLB
SCHEMBL9942641 0.81 NPC1 (0.63) DRD4SIGMAR1LMNAPOLBNPC1
SCHEMBL6889419 0.80 GAA (0.54) NPC1RAB9AKDM4EMAPTTP53
SCHEMBL12385909 0.80 DRD4 (0.77) DRD4SIGMAR1LMNAPOLBDRD2
SCHEMBL8312103 0.79 DRD4 (0.70) DRD4POLBDRD2DRD3KDM4E
SCHEMBL7399044 0.79 DRD4 (0.65) DRD4SIGMAR1LMNAPOLBNCF1
SCHEMBL3448210 0.78 DRD4 (0.59) DRD4SIGMAR1LMNAPOLBNCF1
SCHEMBL6031812 0.77 DRD4 (1.00) DRD4SIGMAR1DRD2DRD3KDM4E
SCHEMBL5548733 0.76 DRD4 (0.77) DRD4SIGMAR1DRD2DRD3MC4R

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-2019056120-A1 PENTAFLUOROPHENYL SULFONAMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF DALRIADA THERAPEUTICS INC. (CA) 2019-03-28 WO disclosed