SCHEMBL11364979

SCHEMBL11364979

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

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2J2 P51589 10/20 0.73
▸ CYP3A4 P08684 2/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2B6 P20813 1/20 0.58
▸ MEN1 O00255 1/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ CACNA1F O60840 1/20 0.57
▸ GMNN O75496 1/20 0.57
▸ USP2 O75604 1/20 0.57
▸ EGFR P00533 1/20 0.57
▸ LMNA P02545 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ FYN P06241 1/20 0.57
▸ CHRM2 P08172 1/20 0.57
▸ ABCB1 P08183 1/20 0.57
▸ HTR1A P08908 1/20 0.57
▸ ADRA2A P08913 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ CYP2D6 P10635 1/20 0.57

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 SCHEMBL11369280 0.99 CYP2J2 (0.71) CYP2J2CYP3A4CYP2C9CYP2B6MEN1
SCHEMBL11379129 0.94 CYP2J2 (0.63) CYP2J2CYP3A4MEN1NPC1CACNA1F
SCHEMBL11377421 0.92 CYP2J2 (0.64) CYP2J2CYP3A4CYP2C9CYP2B6LMNA
SCHEMBL11372307 0.91 CYP2J2 (0.63) CYP2J2CYP3A4CYP2C9CYP2B6LMNA
SCHEMBL11376047 0.87 CYP2J2 (0.58) CYP2J2CYP3A4CYP2C9CYP2B6LMNA
SCHEMBL11371018 0.85 CYP2J2 (0.55) CYP2J2CYP3A4CYP2C9CYP2B6MEN1
SCHEMBL11826925 0.84 CYP2J2 (1.00) CYP2J2CYP3A4CYP2C9CYP2B6NPC1
Terfenadone SCHEMBL11364486 0.84 CYP2J2 (1.00) CYP2J2CYP3A4CYP2C9CYP2B6NPC1
Hydrochloric Acid SCHEMBL11830971 0.83 CYP2J2 (0.94) CYP2J2CYP3A4CYP2C9CYP2B6
Terfenadone SCHEMBL11801242 0.83 CYP2J2 (0.98) CYP2J2CYP3A4CYP2C9CYP2B6NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4285958-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 — — US claimed
US-4285957-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 — — US disclosed
US-4285958-A ANTIALLERGENS; ANTIHISTAMINES; BRONCHODILATOR AGENTS RICHARDSON-MERRELL INC. (US) 1981-08-25 — — US disclosed
US-4254130-A ANTIALLERGENS RICHARDSON-MERRELL INC. (US) 1981-03-03 — — 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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