SCHEMBL17079017

SCHEMBL17079017

Brc1ccc2c(c1)CCC(CC1CCN(Cc3ccccc3)CC1)N2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 5/20 0.47
▸ CCR3 P51677 1/20 0.46
▸ BCHE P06276 2/20 0.46
▸ SIGMAR1 Q99720 3/20 0.44
▸ HTR1A P08908 2/20 0.44
▸ ADRA2A P08913 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL2321696 0.71 HTR7 (0.38) ADRA2AADRA2BADRA2CKDM4EMAPT
SCHEMBL1147100 0.70 CCR3 (0.71) ACHECCR3BCHESIGMAR1KDM4E
SCHEMBL7691593 0.69 POLB (0.37) —
SCHEMBL6192806 0.69 PNMT (0.37) ADRA2AADRA2BADRA2C
SCHEMBL27227657 0.68 MBTD1 (0.53) ACHESIGMAR1HRH3
SCHEMBL30658416 0.68 MBTD1 (0.53) ACHESIGMAR1HRH3
SCHEMBL31198934 0.68 SIGMAR1 (0.75) SIGMAR1KDM4EALDH1A1MAPTHTT
SCHEMBL5871503 0.67 MBTD1 (0.48) ACHECCR3SIGMAR1ALDH1A1MAPT
SCHEMBL26613393 0.67 ESR1 (0.55) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL12450081 0.66 PNMT (0.35) ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3116504-A2 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF Innov17 LLC (US) 2017-01-18 — — EP disclosed
WO-2015138276-A2 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2015-09-17 — — WO disclosed
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