SCHEMBL7140896

SCHEMBL7140896

Cc1[nH]c2ccc(N(C(N)=O)c3ccccc3C(F)(F)F)cc2c1CCN(C)Cc1ncc([N+](=O)[O-])cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CDK2 P24941 1/20 0.34
MAPT P10636 6/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 4/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTR1F P30939 1/20 0.32
RAB9A P51151 1/20 0.32
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HTR6 P50406 3/20 0.31
HTR7 P34969 2/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31

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
SCHEMBL7143041 0.94 POLB (0.34) POLBDRD2HTR2AHTR2CCDK2
SCHEMBL8548197 0.86 HTT (0.32) ALDH1A1
SCHEMBL8548284 0.85 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8547960 0.81 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8551905 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL7146368 0.69 ALDH1A1 (0.38) POLBDRD2HTR2AHTR2CCDK2
SCHEMBL8431918 0.68 MAPT (0.34) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL8434358 0.66 MAPT (0.33) MAPTMEN1KMT2AALDH1A1
Benzoic Acid SCHEMBL7141730 0.66 HTR1F (0.34) MAPTMEN1KMT2AALDH1A1HTR1F
Trifluoroacetic Acid SCHEMBL7136312 0.64 MAPT (0.34) MAPTMEN1KMT2AALDH1A1HTR1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0768301-B1 N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists LILLY CO ELI (US) 2003-04-02 EP disclosed
US-6126932-A INSOLUBLE POLYMER BEARING PENDANT SIDE CHAINS, SAID SIDE CHAINS EACH TERMINATING WITH THE 1-(3-(1-PYRROLIDINYL)-PROPYL)-3-ETHYLCARBODIIMIDE MOIETY. ELI LILLY AND COMPANY (US) 2000-10-03 US disclosed
EP-0994109-A2 1-(3-(1-Pyrrolidinyl)propyl)-3-ethylcarbodiimide and a solid phase coupling agent ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
US-5998630-A A 1-(3-(1-PYRROLIDINYL)PROPY)-3-ETHYLCARBODIIMIDE ELI LILLY AND COMPANY (US) 1999-12-07 US disclosed
WO-1997013512-A1 N-[2-SUBSTITUTED-3-(2-AMINOETHYL)-1H-INDOL-5-YL]-AMIDES: NEW 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1997-04-17 WO disclosed
EP-0768301-A1 N-(2-substituted-3-(2-aminoethyl)-1H-indol-5-yl)-amides as new 5-HT1F agonists ELI LILLY AND COMPANY (US) 1997-04-16 EP disclosed