SCHEMBL8963552

SCHEMBL8963552

Cc1ccccc1-c1nc(C(C(c2ccccc2)c2ccccc2)N2CCNCC2)c(C)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.42
SLC6A2 P23975 3/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 3/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CLK4 Q9HAZ1 1/20 0.39
HTR7 P34969 2/20 0.39
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RECQL P46063 1/20 0.36
HTR1A P08908 1/20 0.35
OPRD1 P41143 4/20 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
SCHEMBL8963956 0.89 SLC6A4 (0.40) SLC6A4SLC6A2MEN1KMT2ACYP1A2
SCHEMBL8963679 0.87 MEN1 (0.42) SLC6A4SLC6A2MEN1KMT2ATSHR
SCHEMBL8963762 0.87 HTR7 (0.44) SLC6A4SLC6A2MEN1KMT2ACYP2D6
SCHEMBL8964111 0.87 SLC6A4 (0.41) SLC6A4SLC6A2MEN1KMT2ACYP1A2
SCHEMBL8969991 0.87 OPRD1 (0.37) SLC6A4SLC6A2MEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL8963634 0.85 SLC6A4 (0.39) SLC6A4SLC6A2MEN1KMT2ACYP1A2
SCHEMBL8963580 0.84 PRMT5 (0.40) SLC6A4SLC6A2MEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL8963783 0.83 PRMT5 (0.40) SLC6A4SLC6A2MEN1KMT2ACYP1A2
SCHEMBL8963699 0.83 MEN1 (0.45) SLC6A4SLC6A2MEN1KMT2ATSHR
SCHEMBL8963650 0.82 CHEK2 (0.40) SLC6A4SLC6A2MEN1KMT2ACYP2D6

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-5514800-A CALCIUM CHANNEL BLOCKERS, CEREBRAL ISCHEMIA SYNTEX PHARMACEUTICALS, LTD. (GB) 1996-05-07 US disclosed