SCHEMBL30091645

SCHEMBL30091645

NC(=O)c1nnc(Cc2cc(F)cc(C(F)(F)F)c2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 11/20 0.45
VNN1 O95497 1/20 0.38
TOP2A P11388 3/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL23927471 0.84 GPR52 (0.39) GPR52
SCHEMBL30091622 0.84 GPR52 (0.39) GPR52
SCHEMBL30091689 0.82 RPS6KB1 (0.38) GPR52PARP1
SCHEMBL30091570 0.81 GPR52 (0.43) GPR52
SCHEMBL30091639 0.77 GPR52 (0.36) GPR52PARP1
SCHEMBL15964837 0.77 HCAR2 (0.46) GPR52PARP1
SCHEMBL15964865 0.76 MAOB (0.39)
SCHEMBL30091470 0.75 IDO1 (0.43) GPR52JAK2JAK3PARP1
SCHEMBL30091540 0.75 NR3C2 (0.48) GPR52VNN1
SCHEMBL30091585 0.72 KDM5A (0.41) GPR52VNN1PARP1

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
CN-113166116-B Amido bridged heterocyclic compound, and composition and application thereof 北京赛特明强医药科技有限公司 2022-12-27 CN disclosed