SCHEMBL8964034

SCHEMBL8964034

Cc1ccc(-c2nc(C(C(c3ccccc3Cl)c3ccccc3Cl)N3CCNCC3)c(C)[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.36
SLC6A4 P31645 7/20 0.36
SLC6A3 Q01959 5/20 0.33
PRMT5 O14744 1/20 0.32
ACP1 P24666 1/20 0.32
TACR1 P25103 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
CHEK2 O96017 1/20 0.32
ADRB1 P08588 1/20 0.32
VDR P11473 2/20 0.31
HTR3A P46098 1/20 0.31
DGAT1 O75907 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31

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
SCHEMBL8963855 0.89 TNKS (0.34) SLC6A2SLC6A4PRMT5TACR1CYP1A2
SCHEMBL8963505 0.87 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3PRMT5TACR1
SCHEMBL8963527 0.86 PRMT5 (0.32) PRMT5TNKSPARP1TNKS2DRD2
SCHEMBL8963580 0.85 PRMT5 (0.40) SLC6A2SLC6A4PRMT5TACR1CYP1A2
Hydrochloric Acid SCHEMBL8963783 0.84 PRMT5 (0.40) SLC6A2SLC6A4PRMT5TACR1CYP1A2
SCHEMBL8964088 0.83 OPRD1 (0.37) PRMT5CYP2D6TNKSPARP1TNKS2
SCHEMBL8963516 0.83 CHEK2 (0.42) PRMT5CYP2D6CHEK2ADRB1HTR3A
SCHEMBL8964138 0.82 SLC6A4 (0.38) SLC6A2SLC6A4SLC6A3PRMT5TACR1
SCHEMBL8963650 0.81 CHEK2 (0.40) SLC6A2SLC6A4SLC6A3PRMT5CYP2D6
SCHEMBL8963675 0.80 TACR1 (0.36) PRMT5TACR1CYP2C9CYP2C19TNKS

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