SCHEMBL11245835

SCHEMBL11245835

O=C1CCCCCC1C1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
DRD2 P14416 1/20 0.37
ADRA1A P35348 2/20 0.36
MT-CO2 P00403 2/20 0.36
ALOX5 P09917 2/20 0.36
HSD11B1 P28845 1/20 0.35
ACHE P22303 1/20 0.35
MBTD1 Q05BQ5 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL11020237 0.92 DRD2 (0.39) CA1CA2CA4DRD2ADRA1A
SCHEMBL11020218 0.92 DRD2 (0.39) CA1CA2CA4DRD2ADRA1A
SCHEMBL20281987 0.88 KMT2A (0.34) KMT2ACA1CA2CA4DRD2
SCHEMBL20281783 0.88 KMT2A (0.34) KMT2ACA1CA2CA4DRD2
SCHEMBL10744875 0.86 LMNA (0.34) KMT2ACA1CA2CA4DRD2
SCHEMBL1816491 0.86 LMNA (0.34) KMT2ACA1CA2CA4DRD2
SCHEMBL6216411 0.86 DRD2 (0.44) DRD2ADRA1AHSD11B1ACHEMBTD1
SCHEMBL10116766 0.82 DRD2 (0.33) DRD2ADRA1AHSD11B1ACHE
Hydrochloric Acid SCHEMBL407954 0.80 DRD2 (0.33) DRD2ADRA1AHSD11B1ACHE
SCHEMBL6769544 0.76 KMT2A (0.56) KMT2ACA1CA2CA4MT-CO2

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-4315032-A ANTITHROMBOGENIC AGENTS, ANTIULCER AGENTS TEITIN LIMITED (JP) 1982-02-09 US disclosed