SCHEMBL11369936

SCHEMBL11369936

CCOC(=O)C(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 5/20 0.60
▸ KCNH2 Q12809 4/20 0.60
▸ LMNA P02545 3/20 0.60
▸ DRD3 P35462 3/20 0.60
▸ HTR2A P28223 2/20 0.60
▸ HTR2B P41595 2/20 0.60
▸ BLM P54132 2/20 0.60
▸ CNR1 P21554 1/20 0.60
▸ APEX1 P27695 1/20 0.60
▸ PDE4A P27815 1/20 0.60
▸ PDE3A Q14432 1/20 0.60
▸ DRD2 P14416 2/20 0.59
▸ ALOX15 P16050 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ CYP2J2 P51589 5/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ CACNA1F O60840 1/20 0.56
▸ GMNN O75496 1/20 0.56
▸ USP2 O75604 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
SCHEMBL2456709 0.89 HRH1 (0.74) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL5999809 0.87 HRH1 (0.79) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL1968090 0.87 HRH1 (0.79) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL5999820 0.87 HRH1 (0.79) HRH1KCNH2LMNADRD3HTR2A
Hydrochloric Acid SCHEMBL11365096 0.86 HRH1 (0.79) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL11377990 0.86 HRH1 (0.72) HRH1KCNH2LMNADRD3HTR2A
Terfenadine SCHEMBL8187662 0.84 LMNA (0.77) HRH1KCNH2LMNADRD3HTR2A
Methane SCHEMBL6327150 0.84 HRH1 (0.52) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL11376047 0.84 CYP2J2 (0.58) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL11365553 0.82 HRH1 (0.71) HRH1KCNH2LMNADRD3HTR2A

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-4285957-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 — — US disclosed
US-4254129-A ANTIALLERGENS, BRONCHODILATORS, ANTIHISTAMINES; 4-DIPHENYLMETHYL PIPERIDINO-ALKANOLS RICHARDSON-MERRELL INC. (US) 1981-03-03 — — US disclosed
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