SCHEMBL20042789

SCHEMBL20042789

Cc1cc(C(=O)N2Cc3nc(Cl)nc(N4CCC4)c3C2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 1/20 0.42
HPGD P15428 2/20 0.40
GPR183 P32249 1/20 0.39
PRLHR P49683 2/20 0.39
GBA1 P04062 3/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 4/20 0.37
SMYD3 Q9H7B4 3/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL20042887 0.92 GPR6 (0.42) GPR6HPGDGPR183PRLHRGBA1
SCHEMBL20042782 0.90 GPR6 (0.41) GPR6HPGDGPR183PRLHRGBA1
SCHEMBL20042803 0.88 GPR6 (0.40) GPR6HPGDGPR183PRLHRGBA1
SCHEMBL20042944 0.88 GPR183 (0.43) GPR6HPGDGPR183PRLHRGBA1
SCHEMBL20042967 0.85 KCNK3 (0.41) GPR6HPGDGPR183PRLHRALDH1A1
SCHEMBL20042687 0.84 HSD17B10 (0.51) HPGDGBA1ALDH1A1SMN1; SMN2MAPT
SCHEMBL20042752 0.84 HPGD (0.47) HPGDGBA1ALDH1A1HTTTSHR
SCHEMBL20042886 0.84 HPGD (0.49) GPR6HPGDTSHRKMT2A
SCHEMBL20042671 0.81 P2RX7 (0.45) HPGDPRLHRGBA1ALDH1A1HTT
SCHEMBL20042792 0.81 TACR3 (0.46) GPR6HPGDMAPTMEN1KMT2A

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