SCHEMBL7965112

SCHEMBL7965112

OC(CCOc1ccc(Cl)cc1Cl)N1CCC(O)(c2cnc3ccccc3n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
HPGD P15428 4/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 3/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
S1PR4 O95977 5/20 0.36
TP53 P04637 2/20 0.36

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
SCHEMBL7964386 0.86 LMNA (0.39) LMNAPTGS1PTGS2NPC1PKM
SCHEMBL7965117 0.81 CYP1A2 (0.58) LMNAKMT2ACYP1A2CYP2D6SMN1; SMN2
SCHEMBL7965119 0.81 OPRM1 (0.39) LMNANPC1PKMRAB9AOPRM1
SCHEMBL7963392 0.80 ADRB2 (0.35) LMNAOPRM1OPRD1KMT2ACYP1A2
SCHEMBL7962207 0.79 ALDH1A1 (0.43) LMNANPC1RAB9AOPRM1OPRD1
SCHEMBL7962696 0.79 LTA4H (0.35) LMNANPC1RAB9AOPRM1OPRD1
SCHEMBL7964944 0.78 MEN1 (0.30) KMT2A
SCHEMBL7962741 0.77 PDE10A (0.42) NPC1RAB9AOPRM1OPRD1MAPT
Fumaric Acid SCHEMBL7966209 0.75 MAPT (0.38) LMNANPC1HPGDKMT2AMAPT
Fumaric Acid SCHEMBL7966218 0.75 MAPT (0.38) LMNANPC1HPGDKMT2AMAPT

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-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed