SCHEMBL8304948

SCHEMBL8304948

c1ccc(C(c2ccccn2)N2CCNCC2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
KCNA5 P22460 3/20 0.51
PLD1 Q13393 1/20 0.51
KCNE1 P15382 1/20 0.51
SLC6A4 P31645 1/20 0.50
MAPT P10636 2/20 0.48
OPRD1 P41143 3/20 0.48
OPRM1 P35372 1/20 0.48
OPRK1 P41145 1/20 0.48
OPRL1 P41146 1/20 0.48
CYP2D6 P10635 2/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR7 P34969 1/20 0.44
IDH1 O75874 1/20 0.44
CYP19A1 P11511 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL8694125 0.90 MEN1 (0.67) MEN1KMT2APLD1SLC6A4OPRD1
SCHEMBL6580465 0.85 CYP2D6 (0.65) MEN1KMT2ASLC6A4OPRD1OPRM1
SCHEMBL7101320 0.85 MEN1 (0.51) MEN1KMT2ASLC6A4OPRD1OPRM1
SCHEMBL9933454 0.83 KCNA5 (0.49) MEN1KMT2AKCNA5PLD1KCNE1
SCHEMBL2673019 0.83 KCNA5 (0.49) MEN1KMT2AKCNA5PLD1KCNE1
SCHEMBL9933193 0.83 KCNA5 (0.49) MEN1KMT2AKCNA5PLD1KCNE1
SCHEMBL9253495 0.82 OPRD1 (0.49) MEN1KMT2ASLC6A4OPRD1OPRM1
SCHEMBL8305070 0.81 KCNA5 (0.76) MEN1KMT2AKCNA5KCNE1MAPT
Hydrochloric Acid SCHEMBL25270424 0.81 KCNA5 (0.47) MEN1KMT2AKCNA5PLD1KCNE1
Hydrochloric Acid SCHEMBL29090699 0.81 KCNA5 (0.47) MEN1KMT2AKCNA5PLD1KCNE1

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