SCHEMBL6015115

SCHEMBL6015115

CN1CCC(N2CCN(C(=O)[C@H](NC(=O)O)C(C)(C)C)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
F10 P00742 2/20 0.41
CCR1 P32246 2/20 0.40
SIGMAR1 Q99720 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
F2 P00734 1/20 0.36
TP53 P04637 2/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 2/20 0.35
USP5 P45974 1/20 0.34
ACHE P22303 1/20 0.34
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL3452017 0.87 L3MBTL3 (0.38) L3MBTL3L3MBTL1F10CCR1SIGMAR1
SCHEMBL16602550 0.77 CCR1 (0.41) CCR1ALDH1A1
SCHEMBL13123133 0.77 L3MBTL3 (0.41) L3MBTL3L3MBTL1F10CCR1F2
SCHEMBL3448743 0.77 CCR1 (0.48) L3MBTL3L3MBTL1F10CCR1F2
SCHEMBL6015018 0.76 CCR1 (0.41) CCR1TP53CHRM3
SCHEMBL3452016 0.75 L3MBTL3 (0.43) L3MBTL3L3MBTL1F10ALDH1A1CHRM1
SCHEMBL6014992 0.75 CCR1 (0.42) CCR1CYP3A4CYP2C19TP53
SCHEMBL14541506 0.75 CCR3 (0.40) L3MBTL3L3MBTL1F10CYP3A4CYP2C19
SCHEMBL4684724 0.75 KMT2A (0.48) L3MBTL3L3MBTL1CYP3A4CYP2C19
SCHEMBL3455074 0.74 F10 (0.40) F10CCR1CYP3A4CYP2C19

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
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 EP disclosed