SCHEMBL17066444

SCHEMBL17066444

CNCC1CC2c3c(Cl)cccc3C1c1cccc(Cl)c12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.43
SLC6A2 P23975 12/20 0.40
CYP2D6 P10635 7/20 0.40
HTR2C P28335 3/20 0.38
SLC6A3 Q01959 6/20 0.38
CYP2C19 P33261 3/20 0.38
KCNH2 Q12809 2/20 0.38
CYP3A4 P08684 1/20 0.38
HTR2A P28223 4/20 0.36
HTR2B P41595 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL17066197 0.88 HTR2C (0.39) SLC6A4SLC6A2CYP2D6HTR2CSLC6A3
SCHEMBL18237855 0.88 SLC6A4 (0.43) SLC6A4SLC6A2CYP2D6HTR2CSLC6A3
SCHEMBL18237562 0.83 HTR2A (0.40) SLC6A4SLC6A2CYP2D6HTR2CSLC6A3
SCHEMBL18250388 0.80 HTR2A (0.37) SLC6A4SLC6A2HTR2CSLC6A3HTR2A
SCHEMBL18250382 0.78 HTR2A (0.35) CYP2D6HTR2CCYP2C19CYP3A4HTR2A
SCHEMBL17066441 0.76 SLC6A2 (0.37) SLC6A4SLC6A2CYP2D6SLC6A3CYP2C19
SCHEMBL18237561 0.75 HTR2A (0.35) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL17066445 0.74 SLC6A4 (0.44) SLC6A4SLC6A2CYP2D6HTR2CSLC6A3
SCHEMBL18237481 0.74 CACNB4 (0.35) HTR2CHTR2AHTR2BMEN1KMT2A
SCHEMBL18237417 0.70 NLRP3 (0.39) CYP2D6SLC6A3CYP2C19CYP3A4MEN1

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-9498460-B1 Halogenated tetracyclic compounds KING SAUD UNIVERSITY (SA) 2016-11-22 US disclosed
US-9498460-B1 Halogenated tetracyclic compounds KING SAUD UNIVERSITY (SA) 2016-11-22 US disclosed
US-9125866-B1 Antidepressant compounds KING SAUD UNIVERSITY (SA) 2015-09-08 US disclosed