SCHEMBL7091859

SCHEMBL7091859

CC(C)(C)OC(=O)N1CCC(C2CCN(C(=O)c3ccc4c(c3)Cc3ccccc3C(CC(=O)O)C4)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.48
ITGB3 P05106 5/20 0.45
ITGAV P06756 4/20 0.45
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
ITGA2B P08514 2/20 0.42
ITGB1 P05556 1/20 0.42
ITGB5 P18084 1/20 0.42
CNR2 P34972 1/20 0.40
NAMPT P43490 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40

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
SCHEMBL5492684 0.86 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL7037287 0.75 ITGB3 (0.56) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6958161 0.71 ITGB3 (0.78) ITGB3ITGAVITGA2B
SCHEMBL6958164 0.71 ITGB3 (0.78) ITGB3ITGAVITGA2B
SCHEMBL6676238 0.71 ITGB3 (0.78) ITGB3ITGAVITGA2B
SCHEMBL6641318 0.70 ITGB3 (0.63) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL9544216 0.70 NAMPT (0.52) GPR119KDM4EPKMNAMPT
SCHEMBL9544207 0.70 NAMPT (0.52) GPR119KDM4EPKMNAMPT
SCHEMBL11677942 0.70 MTNR1A (0.60) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6643325 0.70 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB1ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910563-B1 INTEGRIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-6008213-A A INHIBITOR OF VITRONECTIN RECEPTOR AND FIBRINOGEN RECEPTOR; USEFUL FOR INHIBITING PLATELET AGGREGATION AND OSTEOPOROSIS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-28 US disclosed