SCHEMBL9400698

SCHEMBL9400698

CCCCCCc1c(C)n(C)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
CNR1 P21554 2/20 0.49
ACHE P22303 2/20 0.49
CNR2 P34972 2/20 0.49
LMNA P02545 3/20 0.47
KCNH2 Q12809 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
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
POLB P06746 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL9400567 0.92 MAPT (0.67) MAPTCNR1ACHECNR2LMNA
SCHEMBL28753894 0.84 MAPT (0.63) MAPTLMNAMEN1KMT2AF2RL3
SCHEMBL3039635 0.77 MAPT (0.59) MAPTCNR1ACHECNR2LMNA
SCHEMBL9400570 0.77 SRC (0.46) MAPTMEN1KMT2A
SCHEMBL9400629 0.76 MAPT (1.00) MAPTLMNAMEN1KMT2AF2RL3
SCHEMBL30934812 0.76 MAPT (1.00) MAPTLMNAMEN1KMT2AF2RL3
SCHEMBL262113 0.74 MAPT (0.71) MAPTCNR1ACHECNR2LMNA
SCHEMBL5012036 0.74 MAPT (0.71) MAPTCNR1ACHECNR2LMNA
SCHEMBL18261960 0.74 MAPT (0.71) MAPTCNR1ACHECNR2LMNA
SCHEMBL5652624 0.74 MAPT (0.47) MAPTLMNAMEN1KMT2AF2RL3

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 3 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
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