SCHEMBL13745561

SCHEMBL13745561

Cc1ccccc1CNC(=O)C1CCN(C)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.60
MAPT P10636 2/20 0.60
CA12 O43570 1/20 0.60
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA9 Q16790 1/20 0.60
TP53 P04637 4/20 0.56
POLB P06746 2/20 0.56
RXFP1 Q9HBX9 1/20 0.56
P2RX7 Q99572 1/20 0.55
LMNA P02545 2/20 0.53
PLA2G1B P04054 1/20 0.53
PKM P14618 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
TSHR P16473 1/20 0.52
KDM4E B2RXH2 1/20 0.52

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
SCHEMBL5071517 0.88 P2RX7 (0.59) EPHX2MAPTCA12CA1CA2
SCHEMBL13746191 0.86 TP53 (0.68) EPHX2MAPTCA12CA1CA2
SCHEMBL9202720 0.85 ALDH1A1 (0.51) EPHX2CA12CA1CA2CA9
Formic Acid SCHEMBL5085564 0.83 P2RX7 (0.54) EPHX2MAPTCA12CA1CA2
SCHEMBL13746180 0.82 CHRM1 (0.59) EPHX2MAPTCA12CA1CA2
SCHEMBL13746186 0.81 NPSR1 (0.72) EPHX2MAPTPOLBALDH1A1TSHR
SCHEMBL5358064 0.81 LMNA (0.57) EPHX2MAPTCA12CA1CA2
SCHEMBL4982505 0.81 DRD4 (0.51) EPHX2MAPTP2RX7ALDH1A1HPGD
SCHEMBL13746189 0.81 ALDH1A1 (0.65) MAPTTP53POLBRXFP1LMNA
SCHEMBL9198205 0.81 KMT2A (0.57) EPHX2TP53PLA2G1BPKMATG4B

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-2009098282-A1 LOW MOLECULAR WEIGHT 2,5-DISUBSTITUTED THIOPHENE DERIVATIVES AND USE THEREOF IN THERAPY NOVASAID AB (SE) 2009-08-13 WO disclosed