SCHEMBL8963935

SCHEMBL8963935

Cc1[nH]c(-c2ccccc2)nc1C(C)(C(c1ccccc1)c1ccccc1)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.40
HPGDS O60760 1/20 0.40
OPRD1 P41143 1/20 0.38
PRMT5 O14744 1/20 0.37
POLB P06746 1/20 0.36
PIN1 Q13526 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HTR6 P50406 1/20 0.34
SMPD3 Q9NY59 1/20 0.34
SLC6A4 P31645 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33

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
Hydrochloric Acid SCHEMBL8963877 0.99 NPY5R (0.39) NPY5RHPGDSOPRD1PRMT5POLB
Hydrochloric Acid SCHEMBL8964022 0.93 NPY5R (0.37) NPY5RHPGDSOPRD1PRMT5POLB
Hydrochloric Acid SCHEMBL8963569 0.92 NPY5R (0.38) NPY5RHPGDSOPRD1POLBDRD2
Hydrochloric Acid SCHEMBL8963546 0.92 MAPK13 (0.36) NPY5RHPGDSOPRD1PRMT5POLB
Hydrochloric Acid SCHEMBL8963925 0.92 HDAC6 (0.39) NPY5RHPGDSOPRD1PRMT5HPGD
Hydrochloric Acid SCHEMBL8963652 0.92 OPRD1 (0.38) NPY5RHPGDSOPRD1PRMT5POLB
Hydrochloric Acid SCHEMBL8963768 0.92 NPY5R (0.38) NPY5ROPRD1PRMT5MAPK13MAPK12
Hydrochloric Acid SCHEMBL8963764 0.91 MAPK14 (0.36) NPY5RHPGDSOPRD1PRMT5PIN1
Hydrochloric Acid SCHEMBL8963504 0.90 PRMT5 (0.40) NPY5RPRMT5KMT2AMEN1ALDH1A1
Hydrochloric Acid SCHEMBL8963586 0.90 NPY5R (0.40) NPY5RPRMT5KMT2AMEN1SMPD3

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