SCHEMBL8963717

SCHEMBL8963717

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.38
NPY5R Q15761 2/20 0.36
HPGDS O60760 1/20 0.36
PIN1 Q13526 1/20 0.35
HTR6 P50406 3/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
OPRD1 P41143 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SLC6A4 P31645 1/20 0.33
POLB P06746 1/20 0.33
ADRB1 P08588 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32

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 SCHEMBL8964156 0.99 PRMT5 (0.37) PRMT5NPY5RHPGDSPIN1HTR6
Hydrochloric Acid SCHEMBL8963711 0.94 PRMT5 (0.34) PRMT5NPY5RHPGDSPIN1HTR6
Hydrochloric Acid SCHEMBL8963446 0.92 PRMT5 (0.36) PRMT5NPY5RHTR6DRD2DRD4
Hydrochloric Acid SCHEMBL8963722 0.92 PRMT5 (0.33) PRMT5NPY5RHPGDSPIN1HTR6
Hydrochloric Acid SCHEMBL8963626 0.92 CETP (0.36) PRMT5NPY5RHPGDSDRD2DRD4
Hydrochloric Acid SCHEMBL8963781 0.91 PIN1 (0.35) PRMT5NPY5RHPGDSPIN1HTR6
Hydrochloric Acid SCHEMBL8963985 0.91 HDAC6 (0.37) PRMT5OPRD1
Hydrochloric Acid SCHEMBL8964131 0.91 PDE2A (0.38) PRMT5NPY5RHPGDSOPRD1
Hydrochloric Acid SCHEMBL8963755 0.91 PIN1 (0.39) PRMT5NPY5RPIN1HTR6ADRB1
Hydrochloric Acid SCHEMBL8963712 0.90 PRMT5 (0.37) PRMT5NPY5RTSHRMEN1KMT2A

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