SCHEMBL11041333

SCHEMBL11041333

CCCCCC(C)Oc1cc(O)c2c(c1)NC(C)C1CCC(=O)CC21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 8/20 0.34
▸ NR1I2 O75469 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ OPRM1 P35372 2/20 0.31
▸ ACE2 Q9BYF1 1/20 0.30

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
SCHEMBL11183937 1.00 CNR2 (0.34) CNR2NR1I2ADORA3CNR1SLC6A3
SCHEMBL11210611 0.87 ACE2 (0.33) OPRM1ACE2
SCHEMBL11031531 0.87 ACE2 (0.33) OPRM1ACE2
SCHEMBL11191730 0.81 CNR2 (0.34) CNR2NR1I2ADORA3CNR1SLC6A3
SCHEMBL11222943 0.80 CNR2 (0.35) CNR2NR1I2ADORA3CNR1SLC6A3
SCHEMBL11184868 0.75 PDE4A (0.35) —
SCHEMBL11213444 0.75 PDE4A (0.35) —
SCHEMBL10977283 0.75 CNR2 (0.35) CNR2NR1I2ADORA3CNR1SLC6A3
SCHEMBL11178051 0.74 — —
SCHEMBL10974317 0.73 ESR1 (0.35) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045171-B1 9-AMINO-1-HYDROXYOCTAHYDROBENZO(C)QUINOLINES AND DERIVATIVES THEREOF PFIZER INC. (US) 1985-02-13 — — EP disclosed
US-4400385-A TRANQUILIZERS, HYPOTENSIVE AGENTS; DIURETICS; VISION DEFECTS PFIZER INC. (US) 1983-08-23 — — US disclosed
US-4380542-A ANALGESICS, TRANQUILIZERS PFIZER (US) 1983-04-19 — — US disclosed
US-4351833-A 9-Amino-1-hydroxyoctahydrobenzo[c]quinolines and derivatives thereof as analgesics and anti-emetics PFIZER INC. (US) 1982-09-28 — — US disclosed
US-4340737-A CNS AGENTS, HYPOTENSIVES, DIURETICS AND AGENTS FOR TREATMENT OF GLAUCOMA PFIZER INC. (US) 1982-07-20 — — US disclosed
US-4309545-A ANALGESICS, TRANQUILIZERS, ANTIEMETICS, DIURETICS, ANTICONVULSANTS, ANTIDIARRHEAL, ANTITUSSIVES AND IN THE TREATMENT OF GLAUCOMA PFIZER INC. (US) 1982-01-05 — — US disclosed
US-4260764-A ANALGESICS, TRANQUILIZERS PFIZER INC. (US) 1981-04-07 — — US disclosed
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