SCHEMBL8440430

SCHEMBL8440430

COc1ccc2c(c1)CCC2(O)N1CCN(c2cccc3c2OCCO3)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.57
DRD2 P14416 2/20 0.47
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
PMP22 Q01453 1/20 0.42
ADRB1 P08588 1/20 0.41

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
SCHEMBL8443030 0.93 HTR1A (0.57) HTR1ADRD2HTR1DHTR1BALDH1A1
SCHEMBL8439359 0.85 HTR1A (0.55) HTR1ADRD2HTR1DALDH1A1LMNA
SCHEMBL8442339 0.84 HTR1A (0.54) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL8441929 0.81 HTR1A (0.46) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL13533186 0.76 HTR1A (0.71) HTR1ADRD2ALDH1A1LMNACYP3A4
SCHEMBL6962716 0.73 HTR1A (1.00) HTR1A
SCHEMBL6962707 0.73 HTR1A (1.00) HTR1A
SCHEMBL6978483 0.73 HTR1A (1.00) HTR1A
SCHEMBL6978476 0.73 HTR1A (1.00) HTR1A
SCHEMBL6583374 0.72 HTR1A (0.58) HTR1ADRD2ALDH1A1LMNACYP3A4

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