SCHEMBL24163320

SCHEMBL24163320

c1cc(CN2CCN(C3C4CC5CC(C4)C3C5)CC2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ TRPV6 Q9H1D0 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HSD11B1 P28845 1/20 0.45
▸ LSS P48449 1/20 0.42
▸ HPGD P15428 1/20 0.40
▸ CXCR3 P49682 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP4 P49662 1/20 0.39
▸ CASP5 P51878 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CCR2 P41597 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL25969216 0.88 HSD11B1 (0.56) KDM4EALDH1A1TRPV6MEN1KMT2A
SCHEMBL28269086 0.74 LSS (0.66) KDM4EALDH1A1TRPV6MEN1KMT2A
SCHEMBL1143256 0.73 SIGMAR1 (0.60) KDM4EALDH1A1MEN1KMT2AHSD11B1
SCHEMBL24162997 0.73 KDM4E (0.51) KDM4EALDH1A1MEN1KMT2ACYP3A4
SCHEMBL38659590 0.69 KDM4E (0.58) KDM4EALDH1A1TRPV6MEN1KMT2A
SCHEMBL13698460 0.69 HSD11B1 (0.47) KDM4EALDH1A1MEN1KMT2AHSD11B1
SCHEMBL3994683 0.68 HRH3 (0.67) KDM4EALDH1A1LSSHPGDCASP1
SCHEMBL2056150 0.67 MC4R (0.66) KDM4EALDH1A1LSSHPGDCASP1
SCHEMBL1667217 0.67 ALDH1A1 (0.63) KDM4EALDH1A1TRPV6MEN1KMT2A
SCHEMBL2208141 0.66 HRH3 (0.71) KDM4EALDH1A1MEN1KMT2ALSS

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-2022006518-A1 COMPOUNDS AND METHODS OF PROMOTING OLIGODENDROCYTE PRECURSOR DIFFERENTIATION THE CLEVELAND CLINIC FOUNDATION (US) 2022-01-06 — — WO disclosed
Send feedback