SCHEMBL8866801

SCHEMBL8866801

CC(C)(C)OC(=O)CCN1CCN(C(=O)c2ccnc(N)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 3/20 0.42
▸ CCR8 P51685 3/20 0.42
▸ KCNH2 Q12809 3/20 0.42
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ DRD2 P14416 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ TBK1 Q9UHD2 1/20 0.39
▸ HRH2 P25021 1/20 0.39
▸ HRH1 P35367 1/20 0.39
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39

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
SCHEMBL8866951 0.89 CCR8 (0.43) DRD3CCR8KCNH2TP53THRB
SCHEMBL6178837 0.82 MEN1 (0.54) LMNASMN1; SMN2HSD17B10POLBTBK1
SCHEMBL8866404 0.78 GPR119 (0.40) CCR8KCNH2LMNASMN1; SMN2HSD17B10
SCHEMBL19966525 0.78 CCNT1 (0.49) CCR8KCNH2LMNASMN1; SMN2GABRP
SCHEMBL28226884 0.76 MEN1 (0.55) CCR8KCNH2POLBGABRPGABRD
SCHEMBL8867058 0.76 CYP1A2 (0.47) LMNASMN1; SMN2HSD17B10GABRPGABRD
SCHEMBL7498578 0.76 LMNA (0.49) CCR8KCNH2LMNASMN1; SMN2HSD17B10
SCHEMBL9234644 0.74 RBP4 (0.40) CCR8KCNH2LMNASMN1; SMN2HSD17B10
SCHEMBL8866585 0.73 SMYD3 (0.46) LMNASMN1; SMN2GABRPGABRDGABRA1
SCHEMBL30963390 0.73 CRBN (0.47) DRD3KCNH2LMNASMN1; SMN2DRD2

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-5614531-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 — — US disclosed
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