SCHEMBL23721026

SCHEMBL23721026

CCC(C)C(=O)OCn1c(N(C)C2CCN(c3nc4c(n3Cc3ccc(F)cc3)=CCCC=4)CC2)nccc1=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 13/20 0.42
▸ CHRM1 P11229 7/20 0.42
▸ KCNH2 Q12809 6/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ CYP2D6 P10635 11/20 0.42
▸ ALDH1A1 P00352 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ HTR2A P28223 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ ACACB O00763 1/20 0.31

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
SCHEMBL23721409 0.94 HRH1 (0.44) HRH1CHRM1KCNH2ADRA2AHTR2B
SCHEMBL23721300 0.91 HRH1 (0.43) HRH1CHRM1KCNH2ADRA2AHTR2B
SCHEMBL23722273 0.91 HRH1 (0.45) HRH1CHRM1KCNH2ADRA2AHTR2B
SCHEMBL23721027 0.91 HRH1 (0.45) HRH1CHRM1KCNH2ADRA2AHTR2B
SCHEMBL23721290 0.90 HRH1 (0.42) HRH1CHRM1KCNH2ADRA2AHTR2B
SCHEMBL23722322 0.90 HRH1 (0.41) HRH1CHRM1KCNH2ADRA2AHTR2B
SCHEMBL23721268 0.89 HRH1 (0.44) HRH1CHRM1KCNH2ADRA2AHTR2B
SCHEMBL23722248 0.89 HRH1 (0.43) HRH1CHRM1KCNH2ADRA2AHTR2B
SCHEMBL23721298 0.89 HRH1 (0.43) HRH1CHRM1KCNH2ADRA2AHTR2B
SCHEMBL23721283 0.89 HRH1 (0.43) HRH1CHRM1KCNH2ADRA2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445343-B1 PRODRUGS OF NH-ACIDIC COMPOUNDS ALKERMES PHARMA IRELAND LTD (IE) 2021-08-04 — — EP disclosed
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