SCHEMBL11754397

SCHEMBL11754397

O=C1c2ccc(OCCN3CCCCC3)cc2C(=O)c2ccc(OCCN3CCCCC3)cc21

nearest known ligand 0.94

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.72
KMT2A Q03164 1/20 0.63
ADORA2A P29274 3/20 0.60
ADORA1 P30542 2/20 0.60
HTR3E A5X5Y0 1/20 0.59
HTR3B O95264 1/20 0.59
HTR3A P46098 1/20 0.59
HTR3D Q70Z44 1/20 0.59
HTR3C Q8WXA8 1/20 0.59
MAOB P27338 1/20 0.58
KCNH2 Q12809 1/20 0.57
PSMB1 P20618 2/20 0.56
PSMB5 P28074 2/20 0.56
PSMB2 P49721 1/20 0.56

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 SCHEMBL11606262 0.98 HRH3 (0.71) HRH3KMT2AADORA2AADORA1HTR3E
Hydrochloric Acid SCHEMBL11610190 0.98 HRH3 (0.71) HRH3KMT2AADORA2AADORA1HTR3E
Hydrochloric Acid SCHEMBL11754516 0.97 HRH3 (0.69) HRH3KMT2AADORA2AADORA1HTR3E
SCHEMBL1794815 0.97 HRH3 (0.69) HRH3KMT2AADORA2AADORA1HTR3E
Hydrochloric Acid SCHEMBL11754510 0.97 HRH3 (0.69) HRH3KMT2AADORA2AADORA1HTR3E
Hydrochloric Acid SCHEMBL11853855 0.97 HRH3 (0.68) HRH3KMT2AADORA2AADORA1HTR3E
SCHEMBL1796383 0.97 HRH3 (0.72) HRH3KMT2AADORA2AADORA1HTR3E
SCHEMBL1797535 0.97 HRH3 (0.72) HRH3KMT2AADORA2AADORA1HTR3E
Hydrochloric Acid SCHEMBL11603838 0.97 HRH3 (0.68) HRH3KMT2AADORA2AADORA1HTR3E
SCHEMBL1794396 0.95 HRH3 (0.67) HRH3KMT2AADORA2AADORA1HTR3E

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-4041165-A TREATING DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1977-08-09 US disclosed
US-3937833-A DELAYED HYPERSENSITIVITY RICHARDSON-MERRELL INC. (US) 1976-02-10 US disclosed