SCHEMBL14396383

SCHEMBL14396383

C=CCC1C[C@@H]1c1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 13/20 0.59
▸ HTR2B P41595 13/20 0.59
▸ KDM1A O60341 5/20 0.47
▸ MAOB P27338 4/20 0.47
▸ KCNH2 Q12809 2/20 0.47
▸ RCOR1 Q9UKL0 2/20 0.47
▸ KDM1B Q8NB78 1/20 0.47
▸ HTR2A P28223 9/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ SLC6A3 Q01959 2/20 0.38

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
SCHEMBL12714990 1.00 HTR2C (0.59) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL3395704 0.81 HTR2C (0.57) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL774436 0.75 HTR2C (1.00) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL4893904 0.75 HTR2C (0.66) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL5139636 0.75 KDM1A (0.52) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL2826042 0.75 HTR2C (0.66) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL2827113 0.75 KDM1A (0.52) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL2826045 0.75 HTR2C (0.66) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL22334928 0.75 HTR2C (0.66) HTR2CHTR2BKDM1AMAOBKCNH2
SCHEMBL4890488 0.75 KDM1A (0.52) HTR2CHTR2BKDM1AMAOBKCNH2

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-2007113294-A1 PROCESS FOR SYNTHESIZING ORGANOELEMENTAL COMPOUNDS LUDWIG-MAXIMILIANS-UNIVERSITÄT MÜNCHEN (DE) 2007-10-11 — — WO disclosed
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