Sugi Predict

Sugi Predict / Compounds / SCHEMBL3399007

SCHEMBL3399007

SCHEMBL3399007

[CH2]c1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 13/20 0.53
▸ HSD11B1 P28845 3/20 0.42
▸ F2RL3 Q96RI0 1/20 0.39
▸ TNKS O95271 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3364854 0.86 CRHR1 (0.56) CRHR1HSD11B1F2RL3TNKSKDM4E
SCHEMBL3364275 0.84 CRHR1 (0.58) CRHR1HSD11B1F2RL3TNKS
Hydrochloric Acid SCHEMBL3363293 0.83 CRHR1 (0.57) CRHR1HSD11B1F2RL3TNKS
SCHEMBL3367923 0.83 CRHR1 (0.53) CRHR1HSD11B1F2RL3TNKS
SCHEMBL8297373 0.83 CRHR1 (0.53) CRHR1HSD11B1F2RL3TNKSKDM4E
SCHEMBL368235 0.83 CRHR1 (0.53) CRHR1HSD11B1F2RL3TNKS
SCHEMBL3364091 0.83 CRHR1 (0.50) CRHR1HSD11B1F2RL3TNKSKDM4E
SCHEMBL3364646 0.82 CRHR1 (0.49) CRHR1HSD11B1F2RL3TNKSKDM4E
SCHEMBL13617375 0.82 CRHR1 (0.49) CRHR1HSD11B1F2RL3TNKS
SCHEMBL3839128 0.81 CRHR1 (0.51) CRHR1HSD11B1

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-1656353-B1 GABANERGIC MODULATORS HOFFMANN LA ROCHE (CH) 2010-01-27 — — EP claimed