SCHEMBL7319892

SCHEMBL7319892

c1cc(OC2CCCCC2)ccc1CN1CCCCC1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.72
FAAH O00519 1/20 0.58
ADRB2 P07550 3/20 0.56
ALDH1A1 P00352 1/20 0.56
HRH4 Q9H3N8 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TSHR P16473 1/20 0.54
ACHE P22303 1/20 0.54
RAD52 P43351 1/20 0.54

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 SCHEMBL7321774 0.98 HRH3 (0.70) HRH3FAAHADRB2ALDH1A1HRH4
SCHEMBL13069638 0.95 HRH3 (0.71) HRH3FAAHADRB2ALDH1A1MEN1
SCHEMBL5207591 0.88 HRH3 (0.66) HRH3ADRB2
SCHEMBL5203689 0.88 HRH3 (0.66) HRH3ADRB2
SCHEMBL5207756 0.88 HRH3 (0.65) HRH3ADRB2ALDH1A1MEN1KMT2A
SCHEMBL5203366 0.88 HRH3 (0.69) HRH3FAAHADRB2MEN1KMT2A
SCHEMBL5203649 0.87 HRH3 (0.64) HRH3ADRB2MEN1KMT2A
SCHEMBL29700541 0.86 HRH3 (0.56) HRH3FAAHADRB2MEN1KMT2A
SCHEMBL29700542 0.86 HRH3 (0.56) HRH3FAAHADRB2MEN1KMT2A
SCHEMBL5205543 0.84 HRH3 (1.00) 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-4032642-A SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1977-06-28 US disclosed
US-3956296-A ANTIINFLAMMATORY, SEDATIVES, TRANQUILIZERS A. H. ROBINS COMPANY, INCORPORATED (US) 1976-05-11 US disclosed