SCHEMBL20042823

SCHEMBL20042823

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.45
PRLHR P49683 2/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
TACR3 P29371 2/20 0.39
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
GBA1 P04062 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
HSD11B1 P28845 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL20042666 0.93 KMT2A (0.46) P2RX7CNR1CNR2GPR55TACR3
SCHEMBL20042836 0.92 P2RX7 (0.43) P2RX7CNR1CNR2GPR55TACR3
SCHEMBL20042671 0.90 P2RX7 (0.45) P2RX7PRLHRCNR1CNR2GPR55
SCHEMBL20042792 0.90 TACR3 (0.46) P2RX7CNR1CNR2GPR55TACR3
SCHEMBL20042752 0.88 HPGD (0.47) P2RX7CNR1CNR2GPR55TACR3
SCHEMBL20042696 0.88 KDM1A (0.45) P2RX7KMT2AALDH1A1HPGDMEN1
SCHEMBL20042882 0.88 P2RX7 (0.41) P2RX7CNR1CNR2GPR55TACR3
SCHEMBL20042667 0.88 TACR3 (0.46) P2RX7TACR3
SCHEMBL20042685 0.87 HTT (0.42) P2RX7TACR3HTTGBA1HSD11B1
SCHEMBL20042754 0.86 MEN1 (0.41) P2RX7KMT2AALDH1A1HPGDMEN1

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