SCHEMBL25849855

SCHEMBL25849855

CCC1=C(C)CN(C(=O)[C@H]2CCOC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.41
▸ NAMPT P43490 11/20 0.39
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ KCNH2 Q12809 2/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ PIK3CD O00329 2/20 0.35
▸ PIK3R1 P27986 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL25844205 0.74 POLB (0.38) GRM5NAMPTGABRG2GABRB3GABRA5
SCHEMBL17888262 0.74 NAMPT (0.53) GRM5NAMPTKMT2ACNR2
SCHEMBL25853617 0.74 CHRM1 (0.35) —
SCHEMBL25849396 0.73 RECQL (0.50) KMT2APOLBMAPTHTT
SCHEMBL25848587 0.70 RIPK1 (0.35) NAMPTCNR2
SCHEMBL25853513 0.69 — —
SCHEMBL25853250 0.69 GRM5 (0.39) GRM5NAMPTGABRG2GABRB3GABRA5
SCHEMBL13013114 0.68 HPGD (0.57) NAMPTCNR2HTT
SCHEMBL12385902 0.67 KMT2A (0.46) NAMPTKMT2ACNR2
SCHEMBL21584689 0.67 HTT (0.54) NAMPTCNR2HTT

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-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 — — WO disclosed
Send feedback