SCHEMBL9048012

SCHEMBL9048012

N#CC1CCC2CCCCN2C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.39
HTR6 P50406 1/20 0.34
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
CYP2D6 P10635 3/20 0.32
LMNA P02545 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
CHRM2 P08172 1/20 0.31

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
SCHEMBL20096201 0.88 KDM2B (0.38) KDM2BMEN1KMT2AL3MBTL3HRH3
SCHEMBL20096200 0.88 KDM2B (0.38) KDM2BMEN1KMT2AL3MBTL3HRH3
SCHEMBL20095966 0.86 KDM2B (0.42) KDM2BL3MBTL3HRH3
SCHEMBL20096182 0.86 KDM2B (0.42) KDM2BL3MBTL3HRH3
SCHEMBL20095968 0.86 KDM2B (0.42) KDM2BL3MBTL3HRH3
SCHEMBL153765 0.83 L3MBTL3 (0.39) KDM2BL3MBTL3HTR6PDCD1CD274
SCHEMBL150219 0.81 CYP2D6 (0.39) L3MBTL3PDCD1CD274CYP2D6HRH3
SCHEMBL155515 0.81 CYP2D6 (0.39) L3MBTL3PDCD1CD274CYP2D6HRH3
SCHEMBL27855229 0.79 L3MBTL3 (0.36) KDM2BL3MBTL3PDCD1CD274CYP2D6
SCHEMBL6636518 0.78 KDM2B (0.39) KDM2BL3MBTL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61085387-A None JP disclosed
EP-0749966-A1 5-HT 3 RECEPTOR AGONIST, NOVEL THIAZOLE DERIVATIVE, AND INTERMEDIATE THEREFOR YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-12-27 EP disclosed
JP-S6185387-A 3-BENZOYLQUINOLIZIDINE DERIVATIVE HOKURIKU SEIYAKU CO LTD 1986-04-30 JP disclosed