SCHEMBL5807453

SCHEMBL5807453

NC(=O)c1ccc(CCN2CCC[C@H](C(C(N)=O)(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 3/20 0.58
▸ KCNH2 Q12809 2/20 0.58
▸ OPRM1 P35372 2/20 0.58
▸ ADRB2 P07550 1/20 0.58
▸ CHRM2 P08172 1/20 0.58
▸ CHRM4 P08173 1/20 0.58
▸ ADRB1 P08588 1/20 0.58
▸ CHRM5 P08912 1/20 0.58
▸ ADRA2A P08913 1/20 0.58
▸ CHRM1 P11229 1/20 0.58
▸ DRD2 P14416 1/20 0.58
▸ KCNE1 P15382 1/20 0.58
▸ ADRA2B P18089 1/20 0.58
▸ ADRA2C P18825 1/20 0.58
▸ HRH2 P25021 1/20 0.58
▸ HTR2A P28223 1/20 0.58
▸ SLC6A4 P31645 1/20 0.58
▸ ADRA1A P35348 1/20 0.58
▸ OPRK1 P41145 1/20 0.58
▸ HTR2B P41595 1/20 0.58

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
SCHEMBL5807449 1.00 CHRM3 (0.58) CHRM3KCNH2OPRM1ADRB2CHRM2
SCHEMBL9357215 0.93 KCNH2 (0.66) CHRM3KCNH2OPRM1ADRB2CHRM2
SCHEMBL9357220 0.93 KCNH2 (0.66) CHRM3KCNH2OPRM1ADRB2CHRM2
SCHEMBL5807614 0.92 CHRM3 (0.60) CHRM3KCNH2OPRM1ADRB2CHRM2
SCHEMBL5807618 0.92 CHRM3 (0.60) CHRM3KCNH2OPRM1ADRB2CHRM2
SCHEMBL5808113 0.90 CHRM3 (0.59) CHRM3KCNH2OPRM1ADRB2CHRM2
SCHEMBL5808110 0.90 CHRM3 (0.59) CHRM3KCNH2OPRM1ADRB2CHRM2
SCHEMBL5805203 0.89 CHRM3 (0.58) CHRM3KCNH2OPRM1ADRB2CHRM2
SCHEMBL5805199 0.89 CHRM3 (0.58) CHRM3KCNH2OPRM1ADRB2CHRM2
SCHEMBL5823185 0.89 CHRM3 (0.58) CHRM3KCNH2OPRM1ADRB2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006097848-A1 HIV-1 VIRION MATURATION INHIBITORS, COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-09-21 — — WO disclosed
US-5932594-A Muscarinic receptor antagonists PFIZER, INC. (US) 1999-08-03 — — US disclosed
US-5422358-A Muscarinic receptor antagonists PFIZER INC (US) 1995-06-06 — — US disclosed
EP-0441852-A1 MUSCARINIC RECEPTOR ANTAGONISTS. PFIZER LTD (GB) 1991-08-21 — — EP disclosed
EP-0376358-A1 Muscarinic receptor antagonists PFIZER INC. (US) 1990-07-04 — — EP disclosed
WO-1990005133-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1990-05-17 — — WO disclosed
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