SCHEMBL30758648

SCHEMBL30758648

FC(F)(F)c1cc(Cl)cc(CN2CCC3(CCNCC3)C2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.72
CYP2D6 P10635 9/20 0.72
MEN1 O00255 4/20 0.72
KMT2A Q03164 4/20 0.72
TP53 P04637 1/20 0.72
TSHR P16473 5/20 0.68
CYP2C19 P33261 5/20 0.62
CYP2C9 P11712 3/20 0.62
FAAH O00519 1/20 0.56
CYP1A2 P05177 2/20 0.50
KDM1A O60341 1/20 0.49
MAOB P27338 1/20 0.49
RCOR1 Q9UKL0 1/20 0.49
USP2 O75604 4/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
TACR1 P25103 1/20 0.46
SLC6A4 P31645 1/20 0.46

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
SCHEMBL20490896 1.00 CYP3A4 (0.72) CYP3A4CYP2D6MEN1KMT2ATP53
SCHEMBL20491278 0.77 ALDH1A1 (0.63) CYP3A4CYP2D6MEN1KMT2ATSHR
SCHEMBL30758659 0.77 ALDH1A1 (0.63) CYP3A4CYP2D6MEN1KMT2ATSHR
SCHEMBL19083685 0.76 CYP2D6 (0.52) CYP3A4CYP2D6MEN1KMT2ATP53
SCHEMBL30758665 0.75 FAAH (0.58) CYP3A4CYP2D6MEN1KMT2ATP53
SCHEMBL20490996 0.75 FAAH (0.58) CYP3A4CYP2D6MEN1KMT2ATP53
SCHEMBL19084132 0.74 CYP2D6 (0.51) CYP3A4CYP2D6MEN1KMT2ATP53
SCHEMBL23118445 0.73 CYP2D6 (0.50) CYP3A4CYP2D6MEN1KMT2ATP53
SCHEMBL23015499 0.73 FAAH (0.57) CYP3A4CYP2D6MEN1KMT2ATSHR
SCHEMBL20566968 0.73 MGLL (0.82) CYP3A4CYP2D6TSHRCYP2C19FAAH

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117736178-B Dual MAGL and FAAH inhibitors 灵北拉荷亚研究中心公司 2025-03-21 CN disclosed
CN-117736178-A Dual MAGL and FAAH inhibitors 灵北拉荷亚研究中心公司 2024-03-22 CN disclosed
CN-117510468-A Dual MAGL and FAAH inhibitors 灵北拉荷亚研究中心公司 2024-02-06 CN disclosed
CN-117466868-A Dual MAGL and FAAH inhibitors 灵北拉荷亚研究中心公司 2024-01-30 CN disclosed