SCHEMBL11225702

SCHEMBL11225702

C=CCN1C(=O)CCc2c(OCCCNCC(C)CO)cccc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.38
KDM4E B2RXH2 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRB2 P07550 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
GAA P10253 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
Hydrochloric Acid SCHEMBL11227227 0.99 HTR6 (0.38) HTR6KDM4ETDP1KMT2ASIGMAR1
SCHEMBL11386590 0.89 HTR6 (0.41) HTR6KDM4ETDP1KMT2ASIGMAR1
Hydrochloric Acid SCHEMBL11240193 0.89 HTR6 (0.40) HTR6KDM4ETDP1KMT2ASIGMAR1
SCHEMBL11246816 0.88 HTR6 (0.35) HTR6KDM4ETDP1KMT2ASIGMAR1
SCHEMBL11362472 0.86 HTR6 (0.41) HTR6KDM4ETDP1KMT2ALOXL2
SCHEMBL11249316 0.85 HTR6 (0.56) HTR6KDM4ETDP1
SCHEMBL11227272 0.84 KDM4E (0.38) HTR6KDM4ETDP1KMT2AMEN1
SCHEMBL11724290 0.77 ABCB1 (0.41) KDM4EKMT2ASIGMAR1MEN1ALDH1A1
SCHEMBL11218517 0.76 ALDH1A1 (0.35) HTR6KDM4ESIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL11367098 0.76 HTR6 (0.44) HTR6KDM4ETDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4256890-A ADRENERGIC BLOCKING AGENTS OTSUKAPHARMACEUTICAL CO., LTD. (JP) 1981-03-17 US claimed
US-4309432-A TOPICAL ADMINISTRATION OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1982-01-05 US disclosed