SCHEMBL8963679

SCHEMBL8963679

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PRMT5 O14744 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
SLC6A4 P31645 6/20 0.39
SLC6A2 P23975 3/20 0.39
PIN1 Q13526 1/20 0.38
OPRD1 P41143 5/20 0.37
TSHR P16473 1/20 0.36
NPY5R Q15761 1/20 0.36
HPGDS O60760 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
SCHEMBL8963580 0.94 PRMT5 (0.40) MEN1KMT2APRMT5DRD2DRD4
Hydrochloric Acid SCHEMBL8963783 0.93 PRMT5 (0.40) MEN1KMT2APRMT5DRD2DRD4
SCHEMBL8963650 0.92 CHEK2 (0.40) MEN1KMT2APRMT5DRD2DRD4
SCHEMBL8963979 0.92 CYP2D6 (0.42) MEN1KMT2APRMT5DRD2DRD4
SCHEMBL8963860 0.91 PIN1 (0.43) MEN1KMT2APRMT5SLC6A4SLC6A2
SCHEMBL8964068 0.90 PRMT5 (0.44) MEN1KMT2APRMT5SLC6A4SLC6A2
SCHEMBL8963467 0.90 OPRD1 (0.41) MEN1KMT2APRMT5SLC6A4SLC6A2
SCHEMBL8963787 0.89 PIN1 (0.45) MEN1KMT2ASLC6A4SLC6A2PIN1
SCHEMBL8964088 0.88 OPRD1 (0.37) MEN1KMT2APRMT5DRD2DRD4
SCHEMBL8964174 0.88 TACR1 (0.38) MEN1KMT2APRMT5DRD2DRD4

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