SCHEMBL20042766

SCHEMBL20042766

Cc1nc2c(c(N3CCC3)n1)[C@@H](C)N(C(=O)c1cnc(C)c(F)c1)C2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 13/20 0.36
KCNH2 Q12809 3/20 0.33
TACR2 P21452 3/20 0.33
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TACR1 P25103 1/20 0.31
HCRTR1 O43613 2/20 0.31
P2RX7 Q99572 2/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL20042896 0.88 GRM5 (0.38) TACR3TACR2TACR1P2RX7HCRTR2
SCHEMBL20042727 0.83 TACR3 (0.47) TACR3KCNH2TACR2TACR1P2RX7
SCHEMBL20042878 0.83 TACR3 (0.47) TACR3KCNH2TACR2TACR1P2RX7
SCHEMBL20042900 0.83 TACR3 (0.38) TACR3KCNH2TACR2TACR1P2RX7
SCHEMBL20042865 0.83 TACR3 (0.42) TACR3KCNH2TACR2
SCHEMBL20042958 0.83 TACR3 (0.42) TACR3KCNH2TACR2
SCHEMBL20042742 0.82 PROKR1 (0.35) TACR3KCNH2TACR2KDM4ESMN1; SMN2
SCHEMBL20042879 0.82 TACR3 (0.36) TACR3KCNH2TACR2TACR1
SCHEMBL20042852 0.82 TACR3 (0.47) TACR3KCNH2TACR2TACR1P2RX7
SCHEMBL20042898 0.81 TACR3 (0.45) TACR3KCNH2KDM4ESMN1; SMN2P2RX7

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