SCHEMBL10976470

SCHEMBL10976470

CCCCCC(C)Oc1cc(O)c2c(c1)N(C)CC1CCC(=O)C=C21

nearest known ligand 0.30

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 6/20 0.30
▸ DRD1 P21728 6/20 0.30
▸ DRD4 P21917 6/20 0.30
▸ DRD5 P21918 6/20 0.30
▸ DRD3 P35462 6/20 0.30
▸ ESR2 Q92731 1/20 0.30
▸ DRD2 P14416 5/20 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
SCHEMBL10973060 0.87 PDE4A (0.35) —
SCHEMBL11178470 0.81 ESR2 (0.30) ESR2
SCHEMBL11385079 0.76 PTPN1 (0.34) —
SCHEMBL11178051 0.75 — —
SCHEMBL11187956 0.74 PDE4A (0.37) —
SCHEMBL11225268 0.74 S1PR1 (0.39) —
SCHEMBL10474116 0.73 LMNA (0.31) —
SCHEMBL10474115 0.73 LMNA (0.31) —
SCHEMBL10977283 0.72 CNR2 (0.35) —
SCHEMBL10471851 0.68 ESR1 (0.32) HTR1ADRD1DRD4DRD5DRD3

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 4 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-4351833-A 9-Amino-1-hydroxyoctahydrobenzo[c]quinolines and derivatives thereof as analgesics and anti-emetics PFIZER INC. (US) 1982-09-28 — — US disclosed
EP-0045171-A2 9-Amino-1-hydroxyoctahydrobenzo(c)quinolines and derivatives thereof PFIZER INC. (US) 1982-02-03 — — EP 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
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