SCHEMBL7094542

SCHEMBL7094542

COc1ccc2c(c1)c(C1CCN(Cc3c(OC)cccc3C(=O)O)CC1)cn2Cc1ccco1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 9/20 0.60
HTR2A P28223 7/20 0.52
HTR2C P28335 7/20 0.52
HTR2B P41595 7/20 0.52
POLB P06746 1/20 0.47

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
SCHEMBL5345903 0.88 HRH2 (0.60) HRH2HTR2AHTR2CHTR2BPOLB
SCHEMBL5355277 0.88 HTR2A (0.65) HRH2HTR2AHTR2CHTR2B
SCHEMBL5343753 0.87 HRH2 (0.58) HRH2HTR2AHTR2CHTR2BPOLB
SCHEMBL5358714 0.87 HRH2 (0.80) HRH2HTR2AHTR2CHTR2B
SCHEMBL5343881 0.84 HRH2 (0.78) HRH2HTR2AHTR2CHTR2B
SCHEMBL5357911 0.79 TSHR (0.54) HRH2HTR2AHTR2CHTR2BPOLB
SCHEMBL5358193 0.79 HTR2A (0.77) HRH2HTR2AHTR2CHTR2B
SCHEMBL5344193 0.76 HRH2 (0.77) HRH2HTR2AHTR2CHTR2B
SCHEMBL5350942 0.76 HTR6 (0.46) HRH2HTR2AHTR2CHTR2BPOLB
SCHEMBL5352014 0.75 HTR2A (0.85) HRH2HTR2AHTR2CHTR2B

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-1330453-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2003-07-30 EP disclosed
WO-2002036589-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA S.A. (ES) 2002-05-10 WO disclosed