SCHEMBL7706049

SCHEMBL7706049

NC(=O)CC[C@H](NC(=O)c1cccc(/C=C(/Cn2ccnc2)c2ccc(F)cc2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.46
CYP51A1 Q16850 5/20 0.40
CA2 P00918 3/20 0.40
CA1 P00915 2/20 0.40
CYP19A1 P11511 2/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
CYP26A1 O43174 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
GPR132 Q9UNW8 1/20 0.37

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
SCHEMBL7706060 1.00 AGTR2 (0.46) AGTR2CYP51A1CA2CA1CYP19A1
SCHEMBL7703357 0.91 AGTR2 (0.48) AGTR2CYP51A1CYP19A1CYP3A4CYP2C19
SCHEMBL7703354 0.91 AGTR2 (0.48) AGTR2CYP51A1CYP19A1CYP3A4CYP2C19
SCHEMBL7706032 0.91 CA2 (0.45) AGTR2CYP51A1CA2CA1CYP19A1
SCHEMBL7706027 0.91 CA2 (0.45) AGTR2CYP51A1CA2CA1CYP19A1
SCHEMBL7703422 0.90 AGTR2 (0.45) AGTR2CYP51A1CYP19A1CYP3A4CYP2C19
SCHEMBL7703427 0.90 AGTR2 (0.45) AGTR2CYP51A1CYP19A1CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL7709055 0.89 AGTR2 (0.45) AGTR2CYP51A1CYP19A1CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL7709052 0.89 AGTR2 (0.45) AGTR2CYP51A1CYP19A1CYP3A4CYP2C19
SCHEMBL8206537 0.88 FNTA (0.46) AGTR2CA2CA1CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6414145-B1 TREATING CANCER AND NEUROFIBROMATOSIS ZENECA LIMITED (GB) 2002-07-02 US claimed
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP claimed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO claimed
US-6414145-B1 TREATING CANCER AND NEUROFIBROMATOSIS ZENECA LIMITED (GB) 2002-07-02 US disclosed
EP-0975603-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 2000-02-02 EP disclosed
WO-1998032741-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE ZENECA LIMITED (GB) 1998-07-30 WO disclosed