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SCHEMBL7155357

SCHEMBL7155357

CCOCCn1cc(C2CCN(CCOc3cc(OC)ccc3C(=O)O)CC2)c2cc(Br)ccc21.CCOCCn1cc(C2CCN(CCOc3cc(OC)ccc3C(=O)O)CC2)c2cc(Cl)ccc21.CCOCCn1cc(C2CCN(CCOc3cc(OC)ccc3C(=O)O)CC2)c2cccc(Br)c21.CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(F)ccc21.CCOCCn1cc(C2CCN(CCOc3ccccc3C(=O)O)CC2)c2cc(OC)ccc21

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 15/20 0.69
▸ HTR2A P28223 2/20 0.65
▸ HTR2C P28335 2/20 0.65
▸ HTR2B P41595 2/20 0.65

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
SCHEMBL7157898 0.86 HRH2 (0.66) HRH2HTR2AHTR2CHTR2B
SCHEMBL6776728 0.85 HRH2 (0.81) HRH2HTR2AHTR2CHTR2B
SCHEMBL6781752 0.84 HRH2 (0.83) HRH2HTR2AHTR2CHTR2B
SCHEMBL6781207 0.84 HRH2 (0.81) HRH2HTR2AHTR2CHTR2B
SCHEMBL6781709 0.84 HRH2 (0.81) HRH2HTR2AHTR2CHTR2B
SCHEMBL6780286 0.83 HRH2 (1.00) HRH2HTR2AHTR2CHTR2B
SCHEMBL6781355 0.82 HRH2 (0.84) HRH2HTR2AHTR2CHTR2B
SCHEMBL6783913 0.82 HRH2 (1.00) HRH2HTR2AHTR2CHTR2B
SCHEMBL7161708 0.82 HRH2 (0.77) HRH2HTR2AHTR2CHTR2B
SCHEMBL6781533 0.82 HRH2 (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003501424-A — — 2003-01-14 — — JP claimed
EP-1183251-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2002-03-06 — — EP claimed
WO-2000075130-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA, S.A. (ES) 2000-12-14 — — WO claimed