SCHEMBL7733937

SCHEMBL7733937

COc1cc(N2C(=O)c3ccccc3C2=O)ccc1N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.56
DRD2 P14416 2/20 0.56
DRD3 P35462 2/20 0.56
HTR3E A5X5Y0 2/20 0.56
HTR3B O95264 2/20 0.56
HTR3D Q70Z44 2/20 0.56
HTR3C Q8WXA8 2/20 0.56
ADRB1 P08588 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTR6 P50406 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
MAPT P10636 2/20 0.55
LMNA P02545 1/20 0.55
HTR7 P34969 6/20 0.54
HTR2B P41595 2/20 0.50
BCL2A1 Q16548 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NR1H3 Q13133 2/20 0.46
NR1H2 P55055 1/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL6968611 0.82 G6PD (0.59) NR1H3NR1H2
SCHEMBL7054984 0.76 HTR7 (0.68) HTR3ADRD2DRD3HTR3EHTR3B
SCHEMBL7689616 0.76 NR1H3 (0.71) LMNANR1H3NR1H2
SCHEMBL6676139 0.74 MEN1 (0.68) NR1H3NR1H2
SCHEMBL10075919 0.73 HTR7 (0.71) HTR3ADRD2DRD3HTR3EHTR3B
SCHEMBL7059249 0.73 HTR3A (0.65) HTR3ADRD2DRD3HTR3EHTR3B
SCHEMBL12963920 0.73 KMT2A (0.58) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL379 0.73 HTR3A (1.00) HTR3ADRD2DRD3HTR3EHTR3B
SCHEMBL29396943 0.73 HTR3A (1.00) HTR3ADRD2DRD3HTR3EHTR3B
SCHEMBL6366499 0.73 HTR3A (1.00) HTR3ADRD2DRD3HTR3EHTR3B

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