SCHEMBL9400557

SCHEMBL9400557

CCc1cn(C)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
LMNA P02545 2/20 0.51
CDK2 P24941 4/20 0.50
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CNR1 P21554 1/20 0.44
ACHE P22303 1/20 0.44
CNR2 P34972 1/20 0.44
F2RL3 Q96RI0 3/20 0.44
F2R P25116 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL29540778 0.88 MAPT (0.53) MAPTMEN1KMT2ALMNACDK2
SCHEMBL3354579 0.85 MAPT (0.47) MAPTMEN1KMT2ALMNACDK2
SCHEMBL10577625 0.84 CDK2 (0.46) MAPTMEN1KMT2ALMNACDK2
SCHEMBL3351876 0.84 CDK2 (0.48) MAPTMEN1KMT2ALMNACDK2
SCHEMBL3355292 0.83 HTR6 (0.59) MAPTMEN1KMT2ALMNACDK2
SCHEMBL3352978 0.82 CACNB4 (0.56) MAPTMEN1KMT2ALMNACDK2
SCHEMBL11126322 0.81 MAPT (0.50) MAPTMEN1KMT2ALMNACDK2
SCHEMBL23525638 0.81 CDK2 (0.53) MAPTMEN1KMT2ALMNACDK2
SCHEMBL3355596 0.81 ALDH1A1 (0.55) MAPTMEN1KMT2ALMNACDK2
SCHEMBL3356257 0.81 CACNB4 (0.58) MAPTMEN1KMT2ALMNACDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328922-A Anxiolytic and antidepressant activity BEECHAM GROUP P.L.C. (GB) 1994-07-12 US disclosed
WO-1993018026-A1 INDOLE UREAS AS 5-HT1C RECEPTOR ANTOGONISTS BEECHAM GROUP PLC (GB) 1993-09-16 WO disclosed
CN-1076197-A The preparation method of indole urea derivative BEECHAM GROUP PLC (GB) 1993-09-15 CN disclosed
EP-0550507-A1 INDOLE UREAS AS 5 HT RECEPTOR ANTAGONIST Beecham Group p.l.c. (GB) 1993-07-14 EP disclosed
WO-1992005170-A1 INDOLE UREAS AS 5 HT RECEPTOR ANTAGONIST BEECHAM GROUP PLC (GB) 1992-04-02 WO disclosed