SCHEMBL5133016

SCHEMBL5133016

Cc1ccccc1Oc1ccc(C(=O)C2CCCN2C2CCNC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.45
▸ PPARG P37231 1/20 0.45
▸ EZH2 Q15910 1/20 0.41
▸ LPAR1 Q92633 4/20 0.39
▸ LPAR5 Q9H1C0 4/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SLC6A2 P23975 5/20 0.38
▸ SLC6A4 P31645 5/20 0.38
▸ KCNH2 Q12809 4/20 0.38
▸ CYP2D6 P10635 3/20 0.37
▸ SLC6A3 Q01959 3/20 0.37
▸ PLA2G1B P04054 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ MAPK14 Q16539 1/20 0.36
▸ GRIA2 P42262 1/20 0.36
▸ MBTPS1 Q14703 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL3841290 0.87 ALDH1A1 (0.47) FFAR1ALDH1A1MAPK1SLC6A2SLC6A4
SCHEMBL5139829 0.87 HTR2C (0.42) FFAR1SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL5131548 0.87 HTR2C (0.42) FFAR1SLC6A2SLC6A4SLC6A3HTR2C
SCHEMBL3881602 0.86 MEN1 (0.43) FFAR1ALDH1A1MAPK1CYP2D6PLA2G1B
Hydrochloric Acid SCHEMBL3860311 0.86 ALDH1A1 (0.47) FFAR1ALDH1A1MAPK1SLC6A2SLC6A4
SCHEMBL3844268 0.84 POLB (0.42) FFAR1ALDH1A1MAPK1LMNA
SCHEMBL3846301 0.84 SCN9A (0.41) ALDH1A1MAPK1MAPK14LMNA
SCHEMBL3862104 0.84 SCN9A (0.41) ALDH1A1MAPK1MAPK14LMNA
SCHEMBL3843530 0.83 FFAR1 (0.46) FFAR1EZH2ALDH1A1MAPK1CYP2D6
SCHEMBL3840556 0.83 OPRK1 (0.42) FFAR1ALDH1A1SLC6A2SLC6A4CYP2D6

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
WO-2007136668-A9 N-BENZOYL-AND N-BENZYLPYRROLIDIN-3-YLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH CORP (US) 2008-03-27 — — WO claimed
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