SCHEMBL28188447

SCHEMBL28188447

CC(C(=O)C(C)N1CCC(C(=O)c2cccnc2)CC1)N1CCC(C(=O)c2cccnc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 6/20 0.54
▸ GAA P10253 1/20 0.46
▸ CYP3A4 P08684 1/20 0.43
▸ ACKR3 P25106 1/20 0.43
▸ PIK3CD O00329 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PREP P48147 1/20 0.42
▸ FAP Q12884 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ MGLL Q99685 1/20 0.41
▸ GRM1 Q13255 1/20 0.41
▸ KLK7 P49862 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL28187874 0.85 KLK7 (0.49) SLC18A3CYP3A4PIK3CDPREPFAP
SCHEMBL28188448 0.85 SLC18A3 (0.52) SLC18A3GAAACKR3PIK3CDSMN1; SMN2
SCHEMBL13391062 0.82 SLC18A3 (0.63) SLC18A3GAASMN1; SMN2TDP1
SCHEMBL18228117 0.82 SLC18A3 (0.54) SLC18A3GAAPREPFAPTDP1
SCHEMBL7447435 0.80 SLC18A3 (0.58) SLC18A3GAASMN1; SMN2GRM1
SCHEMBL18228260 0.80 SLC18A3 (0.57) SLC18A3GAASMN1; SMN2TDP1KLK7
SCHEMBL28188540 0.79 MGLL (0.41) SLC18A3MGLL
SCHEMBL16655882 0.78 SLC18A3 (0.56) SLC18A3GAACYP3A4SMN1; SMN2TDP1
SCHEMBL28853725 0.78 SMYD3 (0.44) GAACYP3A4ACKR3TDP1MGLL
SCHEMBL15646467 0.78 SLC18A3 (0.58) SLC18A3GAAMGLL

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
CN-107635986-A Substituted quinoxaline derivatives 赛尔维他股份公司 2018-01-26 — — CN disclosed
Send feedback