SCHEMBL8964174

SCHEMBL8964174

Cc1[nH]c(-c2cccc(C(C)(C)C)c2)nc1C(C(c1ccccc1)c1ccccc1)N1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.38
OPRD1 P41143 1/20 0.37
PIN1 Q13526 1/20 0.37
SLC6A4 P31645 6/20 0.36
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
PRMT5 O14744 1/20 0.33
SLC6A2 P23975 3/20 0.33
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
NPY5R Q15761 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 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
SCHEMBL8963792 0.91 PIN1 (0.47) TACR1PIN1SLC6A4MEN1KMT2A
SCHEMBL8963467 0.89 OPRD1 (0.41) TACR1OPRD1SLC6A4KCNA5KCNH2
SCHEMBL8963860 0.88 PIN1 (0.43) TACR1PIN1SLC6A4MEN1KMT2A
SCHEMBL8963679 0.88 MEN1 (0.42) OPRD1PIN1SLC6A4MEN1KMT2A
SCHEMBL8963691 0.87 TACR1 (0.34) TACR1OPRD1SLC6A4KCNA5KCNH2
Hydrochloric Acid SCHEMBL8963922 0.87 OPRD1 (0.37) TACR1OPRD1PIN1SLC6A4KCNA5
SCHEMBL8963787 0.86 PIN1 (0.45) TACR1PIN1SLC6A4MEN1KMT2A
SCHEMBL8963561 0.84 SLC6A2 (0.47) OPRD1PIN1SLC6A4SLC6A2MAPK13
SCHEMBL8963580 0.82 PRMT5 (0.40) TACR1OPRD1SLC6A4MEN1KMT2A
Hydrochloric Acid SCHEMBL8963344 0.82 MAOA (0.37) OPRD1PIN1KCNH2MEN1KMT2A

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