SCHEMBL7968189

SCHEMBL7968189

COc1ccc2cc(C3(O)CCN(Cc4ccccc4)CC3)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 2/20 0.63
OPRL1 P41146 3/20 0.60
POLB P06746 1/20 0.59
CCR3 P51677 1/20 0.59
SIGMAR1 Q99720 4/20 0.58
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
OPRM1 P35372 1/20 0.52
DRD2 P14416 3/20 0.51
DRD3 P35462 3/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
DRD4 P21917 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL240629 0.89 OPRL1 (0.73) KMT2AALDH1A1OPRL1POLBCCR3
SCHEMBL8396393 0.88 KDM4E (0.62) KMT2AKDM4EALDH1A1OPRL1POLB
SCHEMBL4816046 0.88 ALDH1A1 (0.80) KMT2AKDM4EALDH1A1OPRL1POLB
SCHEMBL6042898 0.87 KMT2A (0.82) KMT2AKDM4EALDH1A1OPRL1POLB
SCHEMBL8397903 0.87 KDM4E (0.61) KMT2AKDM4EALDH1A1OPRL1POLB
Hydrochloric Acid SCHEMBL6288091 0.86 ALDH1A1 (0.78) KMT2AKDM4EALDH1A1OPRL1POLB
Water SCHEMBL8370326 0.86 KDM4E (0.50) KMT2AKDM4EALDH1A1OPRL1POLB
SCHEMBL8395687 0.86 KMT2A (0.60) KMT2AKDM4EALDH1A1OPRL1POLB
SCHEMBL8400506 0.85 KMT2A (0.61) KMT2AKDM4EALDH1A1OPRL1POLB
SCHEMBL8400209 0.84 KMT2A (0.69) KMT2AKDM4EALDH1A1OPRL1POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6303627-B1 FOR THERAPY OF PHYSIOLOGICAL AND PSYCHOLOGICAL DISORDERS ELI LILLY AND COMPANY 2001-10-16 US disclosed
WO-1999065487-A1 INHIBITORS OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1999-12-23 WO disclosed
EP-0965587-A1 Tetrahydropyridinyl- and piperidinyl Inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1999-12-22 EP disclosed
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