SCHEMBL11760720

SCHEMBL11760720

COc1ccc(C[C@H]2[C@@H](CO)CCCN2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.46
SPHK2 Q9NRA0 1/20 0.44
GAA P10253 2/20 0.41
HPGD P15428 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL11760710 1.00 HRH3 (0.46) HRH3SPHK2GAAHPGDBCHE
SCHEMBL11768994 1.00 HRH3 (0.46) HRH3SPHK2GAAHPGDBCHE
SCHEMBL11769008 1.00 HRH3 (0.46) HRH3SPHK2GAAHPGDBCHE
SCHEMBL11760698 1.00 HRH3 (0.46) HRH3SPHK2GAAHPGDBCHE
SCHEMBL11763716 0.80 HRH3 (0.45) HRH3GAAHPGDBCHEACHE
SCHEMBL11763720 0.80 HRH3 (0.45) HRH3GAAHPGDBCHEACHE
SCHEMBL11766646 0.80 HRH3 (0.45) HRH3GAAHPGDBCHEACHE
SCHEMBL27078273 0.80 SPHK2 (0.56) HRH3SPHK2SIGMAR1
SCHEMBL11477757 0.78 FPR1 (0.48) HRH3SPHK2GAA
SCHEMBL11385289 0.77 HTR1A (0.55) HRH3

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-4022792-A ANALGESICS STERLING DRUG INC. (US) 1977-05-10 US disclosed
US-3976653-A ANALGESIC ANTAGONIST STERLING DRUG INC. (US) 1976-08-24 US disclosed