SCHEMBL28809552

SCHEMBL28809552

O=C(C(CN1CCCCC1)c1cnn(-c2ccc(Cl)cc2)c1)C(CN1CCCCC1)c1cnn(-c2ccc(Cl)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 1/20 0.48
DRD4 P21917 4/20 0.45
DRD2 P14416 2/20 0.45
KCNH2 Q12809 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR2C P28335 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
RECQL P46063 1/20 0.41
TSHR P16473 1/20 0.40
MAP4K4 O95819 1/20 0.40
DRD3 P35462 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL27940224 0.99 NTSR1 (0.46) NTSR1DRD4DRD2KCNH2SIGMAR1
SCHEMBL28809553 0.82 DRD4 (0.40) NTSR1DRD4DRD2KCNH2SIGMAR1
SCHEMBL27940225 0.81 DRD4 (0.41) NTSR1DRD4DRD2KCNH2SIGMAR1
SCHEMBL13739264 0.75 USP14 (0.50) DRD4DRD2HTR2CMAPK1RECQL
SCHEMBL27940195 0.74 DRD4 (0.41) DRD4DRD2HTR2CMAPK1RECQL
SCHEMBL13739719 0.74 NPC1 (0.51) DRD4DRD2HTR2CMAPK1RECQL
SCHEMBL681153 0.73 NTSR1 (0.59) NTSR1SIGMAR1USP2ALOX15TSHR
SCHEMBL12194487 0.73 NTSR1 (0.59) NTSR1SIGMAR1USP2ALOX15TSHR
SCHEMBL681312 0.73 NTSR1 (0.59) NTSR1SIGMAR1USP2ALOX15TSHR
SCHEMBL679611 0.71 NTSR1 (0.56) NTSR1USP2ALOX15TSHRRAB9A

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
CN-103635230-A Proteostasis regulators PROTEOSTASIS THERAPEUTICS INC 2014-03-12 CN disclosed