SCHEMBL11032101

SCHEMBL11032101

C=CCOc1ccccc1N1CCNCC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.62
SLC6A2 P23975 8/20 0.62
SLC6A4 P31645 8/20 0.62
SLC6A3 Q01959 5/20 0.62
HTR3A P46098 3/20 0.58
HTR6 P50406 2/20 0.58
ADRB1 P08588 2/20 0.58
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
DRD2 P14416 1/20 0.58
CYP2C19 P33261 1/20 0.58
DRD3 P35462 1/20 0.58
HTR3D Q70Z44 1/20 0.58
HTR3C Q8WXA8 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
HTR7 P34969 2/20 0.49

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
SCHEMBL1082656 0.85 HTR1A (0.59) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL15881097 0.84 SETDB1 (0.52) HTR1ASLC6A2SLC6A4SLC6A3DRD2
SCHEMBL15880500 0.82 POLB (0.49) HTR1ASLC6A2SLC6A4SLC6A3ADRB1
SCHEMBL15881007 0.82 DRD2 (0.59) HTR1ADRD2DRD3
SCHEMBL7524534 0.80 HTR1A (0.68) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL255189 0.80 HTR1A (0.68) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
Hydrochloric Acid SCHEMBL787250 0.78 MAPT (0.69) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
Hydrochloric Acid SCHEMBL16528267 0.78 MAPT (0.69) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
Bromide SCHEMBL10621563 0.78 HTR1A (0.66) HTR1ASLC6A2SLC6A4SLC6A3HTR3A
SCHEMBL8634780 0.77 SMN1; SMN2 (0.48) DRD2DRD3LMNA

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-4547505-A ANTIULCER, ANTIPHLOGISTIC, AND ANTISECRETORY AGENT DEGUSSA AKTIENGESELLSCHAFT (DE) 1985-10-15 US disclosed