SCHEMBL25870417

SCHEMBL25870417

C=CC(=O)N1CCC2(CC1)CCN(C(C)C)CC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
TET3 O43151 5/20 0.43
FBXL19 Q6PCT2 5/20 0.43
CXXC5 Q7LFL8 5/20 0.43
KDM2B Q8NHM5 5/20 0.43
CXXC4 Q9H2H0 5/20 0.43
KDM2A Q9Y2K7 5/20 0.43
TET1 Q8NFU7 4/20 0.43
HRH3 Q9Y5N1 8/20 0.40
CYP2D6 P10635 5/20 0.38
CYP2C9 P11712 3/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 1/20 0.36
KCNH2 Q12809 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
SCHEMBL24854333 0.88 HRH3 (0.46) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL3469565 0.85 HRH3 (0.44) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL29829152 0.80 KMT2A (0.47) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL23366023 0.79 CHRNA7 (0.45) HRH3CYP2D6KCNH2
SCHEMBL24918193 0.78 CYP2C9 (0.57) KMT2AHRH3CYP2D6CYP2C9CYP3A4
SCHEMBL16375283 0.77 KMT2A (0.40) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL23811145 0.77 KMT2A (0.45) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL24918399 0.77 CYP2D6 (0.41) HRH3CYP2D6CYP2C9CYP3A4ALDH1A1
SCHEMBL16375288 0.76 HRH3 (0.41) KMT2AHRH3CYP2D6CYP2C9CYP3A4
SCHEMBL16375286 0.75 JAK3 (0.38) KMT2ATET3FBXL19CXXC5KDM2B

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-2023116920-A1 PENTA- FUSED HEXA-HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 杭州多域生物技术有限公司 2023-06-29 WO disclosed