SCHEMBL8637199

SCHEMBL8637199

CC(=O)SC(=O)C(c1ccccc1)N1CCN(c2ccncc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 4/20 0.48
GAA P10253 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
TP53 P04637 2/20 0.42
ROCK2 O75116 1/20 0.42
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL8633965 0.81 NPY2R (0.55) NPY2RGAAKDM4EMAPTTP53
Hydrochloric Acid SCHEMBL8838195 0.80 NPY2R (0.54) NPY2RGAAKDM4EMAPTTP53
SCHEMBL15417704 0.76 LMNA (0.50) NPY2RGAAKDM4EMAPTTSHR
SCHEMBL8837946 0.74 NPY2R (0.53) NPY2RGAAKDM4EMAPTTP53
SCHEMBL12361740 0.73 ATM (0.49) NPY2RGAAKDM4EMAPTTSHR
SCHEMBL19697691 0.72 LMNA (0.67) NPY2RGAAMAPTCYP2C9TSHR
SCHEMBL8838002 0.70 HRH3 (0.53) GAAKDM4EMAPTROCK2CYP2C9
SCHEMBL14590786 0.70 ALDH1A1 (0.69) NPY2RGAAMAPTTP53TSHR
SCHEMBL8838099 0.70 CHKA (0.50) GAACYP2C9TSHRITGB3ITGA2B
SCHEMBL5078059 0.69 NPY2R (0.76) NPY2RMAPTTP53LMNAPKM

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
US-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed
US-5728701-A INHIBIT PLATELET AGGREGATION ZENECA LIMITED (GB) 1998-03-17 US disclosed