SCHEMBL8963715

SCHEMBL8963715

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRD1 P41143 4/20 0.41
SLC6A4 P31645 8/20 0.38
SLC6A2 P23975 4/20 0.38
TACR1 P25103 2/20 0.37
TSHR P16473 1/20 0.36
KCNA5 P22460 1/20 0.36
KCNH2 Q12809 1/20 0.36
USP2 O75604 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL8963699 0.85 MEN1 (0.45) MEN1KMT2AOPRD1SLC6A4SLC6A2
SCHEMBL8963467 0.82 OPRD1 (0.41) MEN1KMT2AOPRD1SLC6A4SLC6A2
SCHEMBL8969991 0.82 OPRD1 (0.37) MEN1KMT2AOPRD1SLC6A4SLC6A2
SCHEMBL8963679 0.82 MEN1 (0.42) MEN1KMT2AOPRD1SLC6A4SLC6A2
SCHEMBL8963618 0.80 MEN1 (0.40) MEN1KMT2AOPRD1SLC6A4SLC6A2
SCHEMBL8964174 0.80 TACR1 (0.38) MEN1KMT2AOPRD1SLC6A4SLC6A2
SCHEMBL8963552 0.79 SLC6A4 (0.42) MEN1KMT2AOPRD1SLC6A4SLC6A2
SCHEMBL8963580 0.79 PRMT5 (0.40) MEN1KMT2AOPRD1SLC6A4SLC6A2
Hydrochloric Acid SCHEMBL8963783 0.78 PRMT5 (0.40) MEN1KMT2AOPRD1SLC6A4SLC6A2
SCHEMBL8963956 0.77 SLC6A4 (0.40) MEN1KMT2ASLC6A4SLC6A2CYP2C9

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