SCHEMBL9400558

SCHEMBL9400558

Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 2/20 0.54
POLB P06746 1/20 0.54
PKM P14618 1/20 0.54
NPY1R P25929 1/20 0.54
NPY2R P49146 1/20 0.54
CTSV O60911 2/20 0.52
CTSL P07711 2/20 0.52
CA12 O43570 2/20 0.51
CA9 Q16790 2/20 0.51
GABRA1 P14867 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA2 P47869 2/20 0.50
HTR2A P28223 1/20 0.50
HTR6 P50406 1/20 0.50

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
SCHEMBL9542154 0.84 MAPT (0.50) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL4011471 0.81 ALDH1A1 (0.68) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL30312308 0.81 ALDH1A1 (0.68) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL155013 0.80 GABRA1 (0.70) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL29540314 0.80 GABRA1 (0.70) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL26630415 0.78 MAPT (0.56) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL5260301 0.78 VDR (0.49) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL12722533 0.78 MAPT (0.59) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL11608571 0.76 MAPT (0.54) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL4825677 0.76 MAPT (0.54) MAPTALDH1A1MEN1KMT2ALMNA

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