SCHEMBL8395687

SCHEMBL8395687

CCCOc1ccc2cc(C3(O)CCN(Cc4ccccc4)CC3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
KDM4E B2RXH2 1/20 0.60
OPRL1 P41146 4/20 0.55
POLB P06746 1/20 0.54
CCR3 P51677 1/20 0.54
OPRM1 P35372 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
HTR1A P08908 1/20 0.47
HTR2B P41595 1/20 0.47
FAAH O00519 2/20 0.46
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46
ADAM17 P78536 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
SCHEMBL8399011 0.93 KMT2A (0.56) KMT2AKDM4EOPRL1POLBCCR3
SCHEMBL8396393 0.91 KDM4E (0.62) KMT2AKDM4EOPRL1POLBCCR3
SCHEMBL8400506 0.90 KMT2A (0.61) KMT2AKDM4EOPRL1POLBCCR3
SCHEMBL17825434 0.90 OPRL1 (0.66) KMT2AKDM4EOPRL1POLBCCR3
SCHEMBL7968189 0.86 KMT2A (0.65) KMT2AKDM4EOPRL1POLBCCR3
SCHEMBL6042898 0.83 KMT2A (0.82) KMT2AKDM4EOPRL1POLBCCR3
SCHEMBL8397903 0.83 KDM4E (0.61) KMT2AKDM4EOPRL1POLBCCR3
SCHEMBL8400209 0.80 KMT2A (0.69) KMT2AKDM4EOPRL1POLBCCR3
Hydrochloric Acid SCHEMBL9057167 0.78 POLB (0.65) KMT2AKDM4EOPRL1POLBCCR3
SCHEMBL240629 0.77 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