SCHEMBL9347671

SCHEMBL9347671

CNCC[C@@H](Oc1ccc(I)cc1C)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.75
SLC6A2 P23975 6/20 0.71
CYP1A2 P05177 4/20 0.71
CYP3A4 P08684 4/20 0.71
CYP2D6 P10635 4/20 0.71
TSHR P16473 3/20 0.71
SLC6A3 Q01959 3/20 0.71
CHRM1 P11229 2/20 0.71
ADRA2B P18089 2/20 0.71
HTR2A P28223 2/20 0.71
HTR2C P28335 2/20 0.71
HRH1 P35367 2/20 0.71
OPRM1 P35372 2/20 0.71
DRD3 P35462 2/20 0.71
OPRK1 P41145 2/20 0.71
HTR2B P41595 2/20 0.71
KCNH2 Q12809 2/20 0.71
KLF10 Q13118 2/20 0.71
HRH3 Q9Y5N1 2/20 0.71
KMT2A Q03164 2/20 0.71

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
SCHEMBL9347628 1.00 SLC6A4 (0.75) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL9348316 1.00 SLC6A4 (0.75) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9347627 0.99 SLC6A4 (0.73) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9347445 0.99 SLC6A4 (0.73) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL9347623 0.99 SLC6A4 (0.73) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL21118565 0.86 SLC6A4 (0.73) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL30501482 0.84 SLC6A4 (0.71) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL8082370 0.84 SLC6A4 (0.71) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL4623634 0.84 SLC6A4 (0.71) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL24177878 0.84 SLC6A4 (0.56) SLC6A4SLC6A2CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5320825-A Psychological disorders TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1994-06-14 US claimed
US-5320825-A Psychological disorders TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1994-06-14 US disclosed
WO-1992019210-A2 SEROTININ REUPTAKE INHIBITORS FOR S.P.E.C.T IMAGING THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1992-11-12 WO disclosed