SCHEMBL20042886

SCHEMBL20042886

Cc1nc2c(c(N3CCC3)n1)CN(C(=O)c1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
PKM P14618 1/20 0.43
P2RX7 Q99572 3/20 0.41
HTR1A P08908 2/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.40
IDH1 O75874 1/20 0.40
GPR6 P46095 1/20 0.38
TACR3 P29371 1/20 0.38
HSD11B1 P28845 1/20 0.38
PGR P06401 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL20042752 0.94 HPGD (0.47) HPGDP2RX7TSHRKMT2ATACR3
SCHEMBL20042887 0.93 GPR6 (0.42) HPGDP2RX7TSHRGPR6TDP1
SCHEMBL20042792 0.91 TACR3 (0.46) HPGDP2RX7KMT2AGPR6TACR3
SCHEMBL20042667 0.91 TACR3 (0.46) P2RX7HTR1ATACR3
SCHEMBL20042821 0.89 MEN1 (0.41) HPGDP2RX7TSHRKMT2AIDH1
SCHEMBL20042733 0.89 MEN1 (0.41) HPGDP2RX7TSHRKMT2AIDH1
SCHEMBL20042680 0.89 GPR6 (0.44) HPGDP2RX7TSHRKMT2AGPR6
SCHEMBL20042880 0.88 P2RX7 (0.40) HPGDPKMP2RX7KMT2AIDH1
SCHEMBL20042884 0.88 P2RX7 (0.40) HPGDPKMP2RX7KMT2AIDH1
SCHEMBL20042751 0.88 HSD17B10 (0.49) HPGDP2RX7KMT2ATACR3

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-2018066718-A1 THERAPEUTIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-04-12 WO disclosed