SCHEMBL11274247

SCHEMBL11274247

CCCNCCc1ccccc1I

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.48
HTR2A P28223 4/20 0.44
SLC6A2 P23975 1/20 0.44
DRD2 P14416 1/20 0.43
MPO P05164 3/20 0.42
SIGMAR1 Q99720 1/20 0.42
HTR2C P28335 2/20 0.41
HRH1 P35367 2/20 0.41
OPRM1 P35372 2/20 0.41
OPRK1 P41145 2/20 0.41
HTR2B P41595 2/20 0.41
HTR6 P50406 2/20 0.41
HTR1D P28221 1/20 0.40
IDO1 P14902 2/20 0.38
HTR1B P28222 1/20 0.36

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
SCHEMBL11265581 0.82 MAOA (0.44) TAAR1HTR2AMPOHTR2CHRH1
SCHEMBL11252069 0.81 SIGMAR1 (0.57) TAAR1MPOSIGMAR1
SCHEMBL30464079 0.79 TAAR1 (0.60) TAAR1HTR2ASIGMAR1HTR2CHTR6
SCHEMBL4201453 0.79 TAAR1 (0.60) TAAR1HTR2ASIGMAR1HTR2CHTR6
SCHEMBL20615042 0.78 CHRM2 (0.52) TAAR1HTR2ASLC6A2DRD2MPO
SCHEMBL2903629 0.78 TAAR1 (0.59) TAAR1HTR2ASLC6A2SIGMAR1HTR2C
SCHEMBL22762073 0.77 TAAR1 (0.63) TAAR1HTR2ASLC6A2DRD2SIGMAR1
SCHEMBL172293 0.77 TAAR1 (0.63) TAAR1MPO
SCHEMBL22638728 0.76 MPO (0.64) TAAR1HTR2AMPOSIGMAR1
SCHEMBL4181180 0.75 TAAR1 (0.56) TAAR1IDO1

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
US-4360511-A Amines useful as brain imaging agents MEDI-PHYSICS, INC. (US) 1982-11-23 US disclosed