SCHEMBL8396393

SCHEMBL8396393

CCOc1ccc2cc(C3(O)CCN(Cc4ccccc4)CC3)ccc2c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.62
KMT2A Q03164 1/20 0.62
OPRL1 P41146 4/20 0.58
POLB P06746 1/20 0.56
CCR3 P51677 1/20 0.56
OPRM1 P35372 1/20 0.50
ALDH1A1 P00352 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
SSTR5 P35346 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8395687 0.91 KMT2A (0.60) KDM4EKMT2AOPRL1POLBCCR3
SCHEMBL7968189 0.88 KMT2A (0.65) KDM4EKMT2AOPRL1POLBCCR3
SCHEMBL8399011 0.88 KMT2A (0.56) KDM4EKMT2AOPRL1POLBCCR3
SCHEMBL8400506 0.87 KMT2A (0.61) KDM4EKMT2AOPRL1POLBCCR3
Hydrochloric Acid SCHEMBL9057167 0.87 POLB (0.65) KDM4EKMT2AOPRL1POLBCCR3
SCHEMBL6042898 0.85 KMT2A (0.82) KDM4EKMT2AOPRL1POLBCCR3
SCHEMBL8397903 0.85 KDM4E (0.61) KDM4EKMT2AOPRL1POLBCCR3
SCHEMBL8400209 0.82 KMT2A (0.69) KDM4EKMT2AOPRL1POLBCCR3
SCHEMBL17825434 0.80 OPRL1 (0.66) KDM4EKMT2AOPRL1POLBCCR3
SCHEMBL240629 0.79 OPRL1 (0.73) KMT2AOPRL1POLBCCR3OPRM1

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 3 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
WO-1997048698-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1997-12-24 WO disclosed