SCHEMBL9035618

SCHEMBL9035618

COc1cccc2c1C1CN(CCCCN3C(=O)c4ccccc4C3=O)CC1C2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.58
ALDH1A1 P00352 2/20 0.55
HTR7 P34969 2/20 0.55
MEN1 O00255 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
ALOX12 P18054 1/20 0.55
ADRA1D P25100 1/20 0.55
ADRA1A P35348 1/20 0.55
ADRA1B P35368 1/20 0.55
KMT2A Q03164 1/20 0.55
HIF1A Q16665 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 1/20 0.54
GLA P06280 1/20 0.54
HPGD P15428 1/20 0.54
DRD2 P14416 5/20 0.53
DRD3 P35462 3/20 0.53
HTR2A P28223 1/20 0.49
HTR6 P50406 1/20 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
SCHEMBL9035501 0.84 DRD3 (0.50) HTR1AALDH1A1HTR7KDM4EDRD2
Hydrochloric Acid SCHEMBL9034412 0.83 HTR1A (0.47) HTR1AHTR7MEN1ADRA1DADRA1A
SCHEMBL9035189 0.83 HTR1A (0.52) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL9034117 0.81 HTR1A (0.58) HTR1AALDH1A1MEN1CYP3A4ADRA1D
SCHEMBL9035223 0.80 HTR1A (0.57) HTR1AALDH1A1MEN1CYP3A4ADRA1D
Hydrochloric Acid SCHEMBL9043516 0.80 HTR1A (0.57) HTR1AALDH1A1MEN1CYP3A4ADRA1D
Hydrochloric Acid SCHEMBL9036002 0.79 HTR1A (0.56) HTR1AALDH1A1MEN1CYP3A4ADRA1D
SCHEMBL9037672 0.79 HTR1A (0.56) HTR1AALDH1A1MEN1CYP3A4ADRA1D
Hydrochloric Acid SCHEMBL9037058 0.78 HTR1A (0.54) HTR1ADRD2
SCHEMBL3886553 0.78 HTR1A (0.58) HTR1AALDH1A1HTR7KDM4EDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422134-B1 5-HT SELECTIVE AGENTS ABBOTT LAB (US) 1996-06-12 EP claimed
EP-0422134-B1 5-HT SELECTIVE AGENTS ABBOTT LAB (US) 1996-06-12 EP disclosed