SCHEMBL20160113

SCHEMBL20160113

CN1CCC(C(=O)N2CCC(N(C)Cc3ccccc3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 2/20 0.56
USP2 O75604 1/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
OPRM1 P35372 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
LTA4H P09960 2/20 0.47
AGTR2 P50052 2/20 0.47
BLM P54132 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL21569649 0.87 JAK2 (0.50) ALDH1A1USP2MEN1TSHRKMT2A
SCHEMBL8442356 0.85 KDM4E (0.68) ALDH1A1KDM4EKMT2AOPRM1SIGMAR1
SCHEMBL785972 0.83 JAK2 (0.54) ALDH1A1KDM4EMEN1KMT2AOPRM1
SCHEMBL7280301 0.81 LTA4H (0.63) ALDH1A1KDM4EMEN1KMT2AOPRM1
SCHEMBL20871938 0.80 KDM4E (0.62) ALDH1A1KDM4EKMT2AOPRM1SIGMAR1
SCHEMBL13588401 0.79 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL14487965 0.78 LTA4H (0.54) ALDH1A1KDM4EOPRM1SIGMAR1LTA4H
SCHEMBL18424508 0.78 KMT2A (0.56) MEN1KMT2AOPRM1SIGMAR1JAK2
SCHEMBL26617983 0.77 KDM4E (0.57) ALDH1A1KDM4EKMT2AOPRM1SIGMAR1
SCHEMBL14144125 0.77 JAK2 (0.52) ALDH1A1KDM4EMEN1KMT2AL3MBTL1

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-2018089695-A1 TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE DYNAVAX TECHNOLOGIES CORPORATION (US) 2018-05-17 WO disclosed