SCHEMBL6440010

SCHEMBL6440010

C1=C(OCc2ccccc2)CCC(C2=CCCCC2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.35
HTR1A P08908 2/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HTT P42858 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
MAOB P27338 2/20 0.33
FOXM1 Q08050 1/20 0.33
MAOA P21397 1/20 0.33
CYP2D6 P10635 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6433409 0.78 HTT (0.44) HRH3HTR1AHTR7HTR6SLC6A2
SCHEMBL6327555 0.73 CYP3A4 (0.47) HRH3HTR1ASLC6A2SLC6A3HTT
SCHEMBL3540053 0.66 GBA1 (0.38)
SCHEMBL5668812 0.63
SCHEMBL10041855 0.63 MAOB (0.50) HRH3SLC6A2SLC6A3MAOBMAOA
SCHEMBL3278335 0.62 TSHR (0.48) HRH3HTR1ASLC6A2SLC6A3MAOB
SCHEMBL11437031 0.62 CTSL (0.44) HRH3SLC6A2SLC6A3HTTMAOB
SCHEMBL17072360 0.62 GSTP1 (0.49) HRH3SLC6A2SLC6A3MAOBMAOA
SCHEMBL3864944 0.62 HRH3 (0.41) HRH3SLC6A4HTTFOXM1CYP2D6
SCHEMBL3864942 0.62 HRH3 (0.41) HRH3SLC6A4HTTFOXM1CYP2D6

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
EP-1165495-B1 RESORCINOL DERIVATIVES PFIZER (US) 2005-04-20 EP claimed