SCHEMBL8963972

SCHEMBL8963972

Cc1ccc(-c2nc(C(CC(c3ccccc3)c3ccccc3)N3CCNCC3)c(C)[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.43
SLC6A2 P23975 11/20 0.43
TACR1 P25103 1/20 0.41
SLC6A3 Q01959 5/20 0.38
CYP2D6 P10635 2/20 0.38
HTR7 P34969 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PRMT5 O14744 1/20 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
SCHEMBL8963464 0.89 SLC6A4 (0.41) SLC6A4SLC6A2TACR1SLC6A3CYP2D6
SCHEMBL8963882 0.87 SLC6A4 (0.52) SLC6A4SLC6A2TACR1SLC6A3PRMT5
Hydrochloric Acid SCHEMBL8963832 0.85 SLC6A4 (0.35) SLC6A4SLC6A2TACR1SLC6A3CYP2D6
SCHEMBL8963580 0.82 PRMT5 (0.40) SLC6A4SLC6A2TACR1MEN1KMT2A
Hydrochloric Acid SCHEMBL8963783 0.81 PRMT5 (0.40) SLC6A4SLC6A2TACR1MEN1KMT2A
Hydrochloric Acid SCHEMBL8963745 0.80 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3CYP2D6MEN1
SCHEMBL8963887 0.79 CYP3A4 (0.46) SLC6A3CYP2D6KCNH2MEN1KMT2A
SCHEMBL8963825 0.77 CYP3A4 (0.44) SLC6A3CYP2D6KCNH2CYP2C9CYP2C19
SCHEMBL8963846 0.76 SLC6A4 (0.42) SLC6A4SLC6A2TACR1SLC6A3CYP2D6
SCHEMBL8964088 0.76 OPRD1 (0.37) CYP2D6HTR7MEN1KMT2APRMT5

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