SCHEMBL7734654

SCHEMBL7734654

N#Cc1cc([N+](=O)[O-])ccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccc2OC(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
GAA P10253 2/20 0.47
HTR1A P08908 6/20 0.46
ADRA1A P35348 5/20 0.46
DRD4 P21917 4/20 0.46
ADRA1B P35368 4/20 0.46
ADRA1D P25100 3/20 0.46
HTR7 P34969 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
HTR1B P28222 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTR2B P41595 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43

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
SCHEMBL7610401 0.89 HTR1A (0.56) LMNAHTR1AADRA1ADRD4ADRA1B
SCHEMBL7612650 0.88 HTR1A (0.48) LMNAHTR1AADRA1ADRD4ADRA1B
SCHEMBL7611665 0.88 HTR1A (0.54) LMNAHTR1AADRA1ADRD4ADRA1B
SCHEMBL7610548 0.84 HTR1A (0.55) LMNAHTR1AADRA1ADRD4ADRA1B
SCHEMBL7606620 0.84 HTR1A (0.54) LMNAGAAHTR1AADRA1ADRD4
SCHEMBL7612647 0.83 HTR1A (0.61) LMNAHTR1AADRA1ADRD4ADRA1B
SCHEMBL6933606 0.80 HTR1A (0.70) LMNAHTR1AADRA1ADRD4ADRA1B
SCHEMBL7612669 0.79 HTR1A (0.59) LMNAHTR1AADRA1ADRD4ADRA1B
SCHEMBL7613929 0.79 ADRA1A (0.53) LMNAHTR1AADRA1ADRD4ADRA1B
SCHEMBL7613420 0.79 HTR1A (0.59) LMNAHTR1AADRA1ADRD4ADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399614-B1 TREATING NEUROMUSCULAR DYSFUNCTION OF LOWER URINARY TRACT VIA PERIPHERAL OR CENTRAL NERVOUS SYSTEM; SEROTONIN RECEPTOR ANTAGONIST RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-04 US disclosed