SCHEMBL20116695

SCHEMBL20116695

CC(C)n1ncc2ccc(-c3noc(C4CCN(C=O)CC4(F)F)n3)cc21

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.35
KIT P10721 5/20 0.35
PIK3CD O00329 1/20 0.34
NR1H4 Q96RI1 3/20 0.33
PTGER3 P43115 1/20 0.33
HTR4 Q13639 1/20 0.33
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL20116749 0.85 NR1H4 (0.45) GRM5NR1H4PTGER3HTR4
SCHEMBL20116453 0.83 HDAC8 (0.37) GRM5KITPTGER3
SCHEMBL22358291 0.81 GPR119 (0.45) GRM5
SCHEMBL20116940 0.81 NR1H4 (0.41) GRM5KITPIK3CDNR1H4PTGER3
SCHEMBL20116449 0.81 GRM5 (0.37) GRM5KITPTGER3
SCHEMBL20676634 0.80 NR1H4 (0.40) KITNR1H4
SCHEMBL20116100 0.80 LDHA (0.41) GRM5KITNR1H4
SCHEMBL20116694 0.79 GRM5 (0.36) GRM5KITPTGER3
SCHEMBL20117297 0.79 KIT (0.37) GRM5KITNR1H4PTGER3HTR4
SCHEMBL20116733 0.78 SCD5 (0.36) GRM5KITNR1H4

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-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed