SCHEMBL8439359

SCHEMBL8439359

OC1(N2CCN(c3cccc4c3OCCO4)CC2)CCc2cc(F)ccc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.55
DRD2 P14416 4/20 0.45
DRD4 P21917 2/20 0.44
HTR2B P41595 2/20 0.44
HTR1D P28221 1/20 0.44
ADRA1A P35348 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
PMP22 Q01453 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
DRD3 P35462 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
SCHEMBL8441075 0.87 HTR1A (0.57) HTR1ADRD2HTR2A
SCHEMBL8442339 0.86 HTR1A (0.54) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL8440430 0.85 HTR1A (0.57) HTR1ADRD2HTR1DALDH1A1LMNA
SCHEMBL8443885 0.84 HTR1A (0.41) HTR1ADRD2
SCHEMBL8441929 0.83 HTR1A (0.46) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL8440360 0.82 HTR1A (0.57) HTR1A
SCHEMBL8443030 0.80 HTR1A (0.57) HTR1ADRD2HTR1DALDH1A1LMNA
SCHEMBL8440322 0.79 HTR1A (0.56) HTR1A
SCHEMBL8439530 0.75 HTR1A (0.57) HTR1A
SCHEMBL13533188 0.74 HTR1A (0.76) HTR1AALDH1A1LMNACYP3A4ALOX12

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
US-5958927-A PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1999-09-28 US claimed
US-5958927-A PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS ADIR ET COMPAGNIE (FR) 1999-09-28 US disclosed