SCHEMBL26721979

SCHEMBL26721979

CCC(C)COc1ccc2c(c1)N(C(C)C1CCC1)C(C)N2C(C)C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SIGMAR1 Q99720 2/20 0.33
▸ HRH3 Q9Y5N1 5/20 0.32
▸ FFAR1 O14842 1/20 0.31
▸ GPBAR1 Q8TDU6 1/20 0.31
▸ MET P08581 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ GPR88 Q9GZN0 2/20 0.30

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
SCHEMBL24613003 0.86 CYP1A2 (0.38) MEN1KMT2ASMN1; SMN2HRH3ALDH1A1
SCHEMBL26721665 0.82 LMNA (0.34) MEN1KMT2ASIGMAR1
SCHEMBL24613027 0.80 MEN1 (0.30) MEN1KMT2ASMN1; SMN2
SCHEMBL26720292 0.78 GPR88 (0.35) GPR88
SCHEMBL24613028 0.78 — —
SCHEMBL26720306 0.74 SLC2A1 (0.33) SIGMAR1THRB
SCHEMBL16525723 0.74 GPR88 (0.37) FFAR1GPR88
SCHEMBL24613008 0.73 OPRM1 (0.36) MEN1KMT2A
SCHEMBL24613055 0.73 KCNJ6 (0.33) —
SCHEMBL24613006 0.71 ACACB (0.34) ALDH1A1

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
US-11801528-B2 Carbene-functionalized composite materials QUEEN'S UNIVERSITY AT KINGSTON (CA) 2023-10-31 — — US disclosed
Send feedback