SCHEMBL3842673

SCHEMBL3842673

C=CC(C)(N)c1cccc(Cc2ccccc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
SLC6A2 P23975 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
RECQL P46063 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR2 P34972 2/20 0.32
GPR55 Q9Y2T6 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BCL2 P10415 1/20 0.32
BCL2L1 Q07817 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
CALM1 P0DP23 1/20 0.31

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
Hydrochloric Acid SCHEMBL1752738 0.99 HTR2A (0.36) HTR2ASLC6A2TAAR1HPGDALDH1A1
SCHEMBL28662452 0.83 HTR2A (0.42) HTR2ASLC6A2TAAR1HPGDALDH1A1
SCHEMBL6547271 0.79 GABRA1 (0.41) HTR2AHPGDALDH1A1CNR2GPR55
Hydrochloric Acid SCHEMBL9902496 0.76 TRPA1 (0.38) HTR2AMAPTSMN1; SMN2MEN1KMT2A
Ammonia Solution, Strong SCHEMBL27927921 0.75 CNR2 (0.40) HTR2ACNR2GPR55BCL2BCL2L1
SCHEMBL8835932 0.73 GABRA1 (0.36) SLC6A2TAAR1ALDH1A1
SCHEMBL7861886 0.73 CALM1 (0.52) HTR2AMAPTNPSR1CNR2GPR55
SCHEMBL8322110 0.72 HTR2A (0.47) HTR2ASLC6A2TAAR1HPGDALDH1A1
Hydrochloric Acid SCHEMBL28430480 0.71 HTR2A (0.46) HTR2ASLC6A2TAAR1HPGDALDH1A1
Chloromethane SCHEMBL27508976 0.70 CALM1 (0.44) HTR2AHPGDNPSR1CNR2GPR55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1151090-B1 MULTIPLE ENZYME ASSAYS APPLERA CORP (US) 2009-09-02 EP claimed
EP-1883635-A2 LIGHT-EMITTING BIOMARKER Quidd (FR) 2008-02-06 EP claimed
WO-2006129036-A2 LIGHT-EMITTING BIOMARKER QUIDD (FR) 2006-12-07 WO claimed
WO-2008145830-A2 NOVEL PRO-FLUORESCENT COMPOUNDS QUIDD (FR) 2008-12-04 WO disclosed
EP-1883635-A2 LIGHT-EMITTING BIOMARKER Quidd (FR) 2008-02-06 EP disclosed
WO-2006129036-A2 LIGHT-EMITTING BIOMARKER QUIDD (FR) 2006-12-07 WO disclosed