SCHEMBL4400

SCHEMBL4400

CN(C)C(CC(Oc1cccc2ccccc12)C1CCCCC1)OC(=O)C(=O)OC(CC(Oc1cccc2ccccc12)C1CCCCC1)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
EPHX1 P07099 1/20 0.37
OPRM1 P35372 1/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 1/20 0.36
METAP1 P53582 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TSHR P16473 1/20 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
SCHEMBL3880 0.85 METAP2 (0.37) METAP2MEN1KMT2ARAB9AL3MBTL1
SCHEMBL3730 0.83 MEN1 (0.44) METAP2MEN1KMT2ARAB9AL3MBTL1
Oxalic Acid SCHEMBL4399 0.77 KDM4E (0.49) METAP2MEN1KMT2APPARGPPARA
SCHEMBL5078661 0.76 HTR1B (0.48) METAP2MEN1KMT2ASLC6A2SLC6A4
Formic Acid SCHEMBL3879 0.75 HTR1B (0.42) METAP2MEN1KMT2ARAB9AL3MBTL1
SCHEMBL3924 0.74 SLC6A4 (0.56) MEN1KMT2ARAB9AOPRM1MAPT
Oxalic Acid SCHEMBL3729 0.73 KMT2A (0.54) MEN1KMT2AOPRM1SLC6A2SLC6A4
Oxalic Acid SCHEMBL27413669 0.73 KMT2A (0.49) METAP2MEN1KMT2ARAB9AL3MBTL1
SCHEMBL3312531 0.72 SLC6A2 (0.56) MEN1KMT2ARAB9AOPRM1ALDH1A1
SCHEMBL2741 0.72 SLC6A2 (0.56) MEN1KMT2ARAB9AOPRM1ALDH1A1

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-5023269-A 3-aryloxy-3-substituted propanamines ELI LILLY AND COMPANY (US) 1991-06-11 US disclosed
EP-0273658-B1 3-ARYLOXY-3-SUBSTITUTED PROPANAMINES ELI LILLY AND COMPANY (US) 1990-10-31 EP disclosed
US-4956388-A ANTIDEPRESSANTS, ANTIANXIETY, TREATMENT OF OBESITY, ADDICTION TO SMOKING AND ALCOHOL ELI LILLY AND COMPANY (US) 1990-09-11 US disclosed