SCHEMBL8305070

SCHEMBL8305070

c1ccc(C(c2ccccn2)N2CCCCC2)nc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 7/20 0.76
KCNE1 P15382 2/20 0.76
ALDH1A1 P00352 4/20 0.58
KDM4E B2RXH2 3/20 0.58
HSD17B10 Q99714 2/20 0.58
TSHR P16473 1/20 0.58
MAPT P10636 2/20 0.57
PPP1CA P62136 2/20 0.54
ALPL P05186 1/20 0.54
HTT P42858 1/20 0.54
ADAM17 P78536 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50
OPRL1 P41146 1/20 0.50
CYP1A2 P05177 4/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 4/20 0.47
CYP2C9 P11712 4/20 0.47

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
SCHEMBL9318039 0.81 KCNA5 (0.71) KCNA5KCNE1ALDH1A1KDM4EHSD17B10
SCHEMBL21664047 0.81 IDH1 (0.64) KCNA5KCNE1ALDH1A1KDM4EMAPT
SCHEMBL8304948 0.81 MEN1 (0.55) KCNA5KCNE1ALDH1A1KDM4EHSD17B10
SCHEMBL5556390 0.81 IDH1 (0.64) KCNA5KCNE1ALDH1A1KDM4EMAPT
SCHEMBL9668033 0.79 KCNA5 (0.68) KCNA5KCNE1ALDH1A1KDM4EHSD17B10
SCHEMBL2547222 0.78 KCNA5 (0.65) KCNA5KCNE1ALDH1A1KDM4EHSD17B10
SCHEMBL11812582 0.78 KCNA5 (0.65) KCNA5KCNE1ALDH1A1KDM4EHSD17B10
SCHEMBL9960186 0.77 PPP1CA (0.79) KCNA5KCNE1ALDH1A1KDM4EHSD17B10
SCHEMBL8291318 0.77 MAPT (0.98) KCNA5KCNE1ALDH1A1KDM4EHSD17B10
SCHEMBL30364157 0.76 KCNA5 (0.62) KCNA5KCNE1ALDH1A1KDM4EHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710661-B1 Amino acid derivative having anti-CKK activity TOBISHI PHARMACEUTICAL CO (JP) 1999-03-31 EP disclosed
US-5716958-A GASTROINTESTINAL DISORDERS; INHIBITORY ACTIVITY ON CHOLECYSTOKININ TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1998-02-10 US disclosed
EP-0710661-A1 Amino acid derivative having anti-CKK activity TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1996-05-08 EP disclosed