SCHEMBL5748560

SCHEMBL5748560

CN(C)CCOc1cccc2oc3ccccc3c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.60
HTR7 P34969 3/20 0.51
HTT P42858 2/20 0.51
ADRB2 P07550 2/20 0.48
CSF1R P07333 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRB1 P08588 1/20 0.45
HTR1D P28221 1/20 0.44
MAOA P21397 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44

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
SCHEMBL5745193 0.93 HTR1B (0.61) HTR1BHTR7HTTADRB2MAOA
SCHEMBL5745354 0.89 MAOA (0.61) HTR1BHTR7HTTCSF1RLMNA
SCHEMBL5748059 0.85 POLB (0.53) HTR1BADRB2DRD2DRD1LMNA
SCHEMBL5747805 0.84 HTR1B (0.53) HTR1BADRB2POLBHTR1DMAOA
SCHEMBL15473271 0.83 CYP2A6 (0.59) HTR1BADRB2LMNAHTR1DMAOA
SCHEMBL5749134 0.82 MAOA (0.59) HTR1BCSF1RMAOA
SCHEMBL12967977 0.81 CDC25A (0.52) HTR1BADRB2L3MBTL1TSHRHTR1D
SCHEMBL5748254 0.81 XDH (0.57) HTR1BADRB2POLBHTR1DALDH1A1
SCHEMBL10431239 0.80 CSF1R (0.47) HTR1BHTR7HTTCSF1RL3MBTL1
SCHEMBL10431487 0.80 ADRB2 (0.48) HTR1BHTTADRB2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711463-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2006-10-18 EP claimed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 WO claimed
EP-1711463-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2006-10-18 EP disclosed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 WO disclosed