SCHEMBL8963882

SCHEMBL8963882

Cc1ccc(-c2nc(C(Cc3ccccc3)N3CCNCC3)c(C)[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.52
SLC6A2 P23975 9/20 0.52
SLC6A3 Q01959 2/20 0.42
TACR1 P25103 1/20 0.40
PRMT5 O14744 2/20 0.37

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
SCHEMBL8963972 0.87 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3TACR1PRMT5
SCHEMBL8963464 0.84 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3TACR1PRMT5
SCHEMBL8963580 0.80 PRMT5 (0.40) SLC6A4SLC6A2TACR1PRMT5
Hydrochloric Acid SCHEMBL8963783 0.79 PRMT5 (0.40) SLC6A4SLC6A2TACR1PRMT5
Hydrochloric Acid SCHEMBL8963832 0.77 SLC6A4 (0.35) SLC6A4SLC6A2SLC6A3TACR1PRMT5
SCHEMBL8963887 0.76 CYP3A4 (0.46) SLC6A3
SCHEMBL8963855 0.76 TNKS (0.34) SLC6A4SLC6A2TACR1PRMT5
SCHEMBL8964088 0.75 OPRD1 (0.37) PRMT5
SCHEMBL8963825 0.75 CYP3A4 (0.44) SLC6A3
Hydrochloric Acid SCHEMBL8963905 0.74 PIN1 (0.36) SLC6A4SLC6A2PRMT5

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