SCHEMBL7367937

SCHEMBL7367937

B.CN(C)CCc1c[nH]c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.61
HTR1A P08908 7/20 0.59
HTR2A P28223 6/20 0.59
HTR2C P28335 5/20 0.59
MPO P05164 1/20 0.59
SLC6A4 P31645 1/20 0.59
HTR1D P28221 10/20 0.58
HTR1B P28222 8/20 0.58
HTR7 P34969 4/20 0.57
HTR5A P47898 4/20 0.57
HTR6 P50406 3/20 0.57
HTR2B P41595 5/20 0.56
HTR1E P28566 3/20 0.56
HTR1F P30939 3/20 0.56
HTR3A P46098 3/20 0.56
HTR3E A5X5Y0 2/20 0.56
HTR3B O95264 2/20 0.56
HTR4 Q13639 2/20 0.56
HTR3D Q70Z44 2/20 0.56
HTR3C Q8WXA8 2/20 0.56

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
SCHEMBL2535250 0.99 NQO2 (0.62) NQO2HTR1AHTR2AHTR2CMPO
SCHEMBL4723013 0.88 PKM (0.67) NQO2HTR1AHTR2AHTR2CMPO
SCHEMBL8538163 0.85 NQO2 (0.58) NQO2HTR2ASLC6A4CYP2D6PKM
SCHEMBL4777878 0.85 NQO2 (0.53) NQO2HTR1AHTR2AHTR2CMPO
Dinitrophenylene SCHEMBL27321903 0.85 HTR1A (0.51) NQO2HTR1AHTR2AHTR2CMPO
SCHEMBL11537110 0.83 NQO2 (0.63) NQO2HTR2APKMPKLRKMT2A
SCHEMBL7008593 0.83 NQO2 (0.66) NQO2HTR2AMPOPKMPKLR
SCHEMBL8122780 0.83 NQO2 (0.49) NQO2HTR1AHTR2AHTR2CMPO
SCHEMBL3294986 0.82 NQO2 (0.64) NQO2HTR2ASLC6A4PKMPKLR
SCHEMBL8629832 0.81 NQO2 (0.67) NQO2HTR2AHTR2CCYP2D6PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666858-B1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT 1) AGONISTS PFIZER (US) 2001-06-13 EP disclosed
EP-1094064-A1 5-arylindolederivatives and their use as serotonin(5-ht1)agonists PFIZER INC. (US) 2001-04-25 EP disclosed
EP-0619805-B1 5-(HETERO- OR CARBOCYCLYLAMINO)-INDOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1 AGONISTS PFIZER (US) 2000-03-15 EP disclosed
US-5886008-A 5-arylindole derivatives PFIZER INC. (US) 1999-03-23 US disclosed
US-5639752-A SEROTONIN AGONIST PFIZER INC (US) 1997-06-17 US disclosed
EP-0666858-A1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT 1?) AGONISTS PFIZER INC. (US) 1995-08-16 EP disclosed
EP-0619805-A1 INDOLE DERIVATIVES PFIZER HOSPITAL PRODUCTS, INC. (US) 1994-10-19 EP disclosed
WO-1994010171-A1 5-ARYLINDOLE DERIVATIVES AND THEIR USE AS SEROTONIN (5-HT1) AGONISTS PFIZER INC. (US) 1994-05-11 WO disclosed
WO-1993011106-A1 INDOLE DERIVATIVES PFIZER, INC. (US) 1993-06-10 WO disclosed