SCHEMBL8963618

SCHEMBL8963618

Cc1[nH]c(C2CC2)nc1C(C(c1ccccc1)c1ccccc1)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SLC6A4 P31645 9/20 0.38
SLC6A2 P23975 5/20 0.38
KHK P50053 2/20 0.36
KIT P10721 1/20 0.35
OPRD1 P41143 4/20 0.35
TSHR P16473 1/20 0.35
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 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 0.84 MEN1 (0.45) MEN1KMT2ASLC6A4SLC6A2OPRD1
SCHEMBL8963679 0.81 MEN1 (0.42) MEN1KMT2ASLC6A4SLC6A2OPRD1
SCHEMBL8963715 0.80 MEN1 (0.41) MEN1KMT2ASLC6A4SLC6A2OPRD1
Hydrochloric Acid SCHEMBL8963555 0.78 CYP2D6 (0.40) MEN1KMT2AOPRD1TSHRSLC6A3
SCHEMBL8963580 0.78 PRMT5 (0.40) MEN1KMT2ASLC6A4SLC6A2OPRD1
SCHEMBL8963552 0.78 SLC6A4 (0.42) MEN1KMT2ASLC6A4SLC6A2OPRD1
Hydrochloric Acid SCHEMBL8963783 0.77 PRMT5 (0.40) MEN1KMT2ASLC6A4SLC6A2OPRD1
SCHEMBL8963956 0.76 SLC6A4 (0.40) MEN1KMT2ASLC6A4SLC6A2SLC6A3
SCHEMBL8963650 0.76 CHEK2 (0.40) MEN1KMT2ASLC6A4SLC6A2OPRD1
SCHEMBL8963860 0.76 PIN1 (0.43) MEN1KMT2ASLC6A4SLC6A2

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