SCHEMBL8395683

SCHEMBL8395683

OC1(c2ccc3cc(OCc4ccccc4)ccc3c2)CCN(CCCOc2cccc3[nH]ccc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
DRD4 P21917 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTR1A P08908 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
DRD1 P21728 1/20 0.40
DRD5 P21918 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HRH1 P35367 1/20 0.40

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
SCHEMBL8396379 0.93 DRD2 (0.44) CCR1KMT2AMEN1ALDH1A1LMNA
Oxalic Acid SCHEMBL8395281 0.90 DRD2 (0.42) KMT2AMEN1ALDH1A1LMNADRD2
SCHEMBL7883032 0.90 CCR1 (0.48) CCR1KMT2AMEN1ALDH1A1LMNA
SCHEMBL8400183 0.89 DRD2 (0.43) CCR1KMT2AMEN1ALDH1A1LMNA
SCHEMBL8396403 0.88 MEN1 (0.49) KMT2AMEN1ALDH1A1LMNADRD2
SCHEMBL8397976 0.88 HTR1A (0.45) CCR1KMT2AMEN1ALDH1A1LMNA
SCHEMBL8399026 0.87 ABCB1 (0.55) HTR1ASLC6A4ABCB1
SCHEMBL8398976 0.87 DRD2 (0.53) KMT2AMEN1ALDH1A1LMNADRD2
Oxalic Acid SCHEMBL8398992 0.86 DRD2 (0.44) KMT2AMEN1ALDH1A1LMNADRD2
Oxalic Acid SCHEMBL8400503 0.86 DRD2 (0.49) KMT2AMEN1ALDH1A1LMNADRD2

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-5912256-A 0-(4-INDOLYLOXY)-3-(4-HYDROXY-4-NAPHTHYLPIPERIDIN-1-YL)PROPANE S ELI LILLY AND COMPANY (US) 1999-06-15 US disclosed
EP-0814084-A1 Indole derivatives as 5-HT1A antagonists and as inhibitors of serotonine reuptake ELI LILLY AND COMPANY (US) 1997-12-29 EP disclosed