SCHEMBL8335123

SCHEMBL8335123

CCCNc1cc(OC)c(Br)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.51
SMN1; SMN2 Q16637 1/20 0.42
HTR2C P28335 5/20 0.42
TAAR1 Q96RJ0 3/20 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
SCHEMBL7059303 0.82 HTR2A (0.40) HTR2ASMN1; SMN2HTR2C
SCHEMBL7530707 0.79 ALDH1A1 (0.51) SMN1; SMN2
SCHEMBL7526020 0.77 SMN1; SMN2 (0.45) SMN1; SMN2
SCHEMBL7525330 0.75 ALDH1A1 (0.50) SMN1; SMN2
SCHEMBL18893406 0.74 PTGS2 (0.40) SMN1; SMN2
SCHEMBL298224 0.73 POLB (0.59) HTR2AHTR2CTAAR1
SCHEMBL7248349 0.72 ALDH1A1 (0.36) SMN1; SMN2
SCHEMBL5846544 0.72 PGK1 (0.49) HTR2ASMN1; SMN2HTR2CTAAR1
SCHEMBL7531918 0.71 MAPT (0.59) SMN1; SMN2
SCHEMBL13159618 0.71 ACHE (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101099734-A Agonism of the 5ht2a receptor for treatment of thermoregulatory dysfunction WYETH CORP (US) 2008-01-09 CN claimed
CN-1674880-A 5HT for the treatment of thermoregulatory dysfunction2aAgonism of receptors WYETH CORP (US) 2005-09-28 CN claimed
CN-106102836-A Halogen treatment of heart attack and ischemic injury 弗雷德哈钦森癌症研究中心 2016-11-09 CN disclosed
CN-101099734-A Agonism of the 5ht2a receptor for treatment of thermoregulatory dysfunction WYETH CORP (US) 2008-01-09 CN disclosed
CN-1674880-A 5HT for the treatment of thermoregulatory dysfunction2aAgonism of receptors WYETH CORP (US) 2005-09-28 CN disclosed
US-5874477-A ADMINISTERING AN AMINOTETRALIN, A PHENYL DIOXIN, A AN ERGOLINE, AN INDOLE DERIVATIVE OR AN ALKYLPIPERIDINE, PRECURSORS OF WHICH ARE FRUIT PEELINGS; DISPLACEMENT OF LIGANDS ON SUBTYPE 5HT1A OR 5HT2/5HT1C; REDUCE SYMPTOMS THE UNIVERSITY OF HAWAII (US) 1999-02-23 US disclosed
WO-1996004898-A1 A METHOD OF TREATMENT FOR MALARIA MCCONNELL BRUCE (US) 1996-02-22 WO disclosed