SCHEMBL19839628

SCHEMBL19839628

O=C(O)NCCCC[C@H](NCc1ccc2ccccc2c1)C(=O)NCCC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 5/20 0.55
▸ MC1R Q01726 5/20 0.55
▸ MC3R P41968 4/20 0.55
▸ BCHE P06276 1/20 0.50
▸ METAP2 P50579 1/20 0.48
▸ METAP1 P53582 1/20 0.48
▸ NMT2 O60551 7/20 0.46
▸ NMT1 P30419 7/20 0.46
▸ TLR2 O60603 1/20 0.45
▸ FOLH1 Q04609 3/20 0.44
▸ MC5R P33032 3/20 0.42
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRM1 Q13255 1/20 0.42
▸ TGM2 P21980 1/20 0.42

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
SCHEMBL19839630 1.00 MC4R (0.55) MC4RMC1RMC3RBCHEMETAP2
SCHEMBL19839703 0.90 NMT1 (0.57) MC4RMC1RMC3RBCHEMETAP2
SCHEMBL19839702 0.90 NMT1 (0.57) MC4RMC1RMC3RBCHEMETAP2
Hydrochloric Acid SCHEMBL19839689 0.89 NMT1 (0.56) MC4RMC1RMC3RBCHEMETAP2
Hydrochloric Acid SCHEMBL19839690 0.89 NMT1 (0.56) MC4RMC1RMC3RBCHEMETAP2
SCHEMBL28291231 0.89 MC4R (0.57) MC4RMC1RMC3RBCHEMETAP2
SCHEMBL19851498 0.88 MC4R (0.51) MC4RMC1RMC3RBCHEMETAP2
SCHEMBL19851485 0.73 METAP2 (0.52) MC4RMETAP2METAP1MC5R
SCHEMBL19839551 0.73 TLR2 (0.68) MC4RMC1RMC3RTLR2
SCHEMBL19839556 0.73 TLR2 (0.68) MC4RMC1RMC3RTLR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3493814-A1 LIPID-SUBSTITUTED AMINO 1,2-AND 1,3-DIOL COMPOUNDS AS MODULATORS OF TLR2 DIMERIZATION Neuropore Therapies, Inc. (US) 2019-06-12 — — EP claimed
WO-2018026866-A1 LIPID-SUBSTITUTED AMINO 1,2-AND 1,3-DIOL COMPOUNDS AS MODULATORS OF TLR2 DIMERIZATION NEUROPORE THERAPIES, INC. (US) 2018-02-08 — — WO claimed
EP-3493814-A1 LIPID-SUBSTITUTED AMINO 1,2-AND 1,3-DIOL COMPOUNDS AS MODULATORS OF TLR2 DIMERIZATION Neuropore Therapies, Inc. (US) 2019-06-12 — — EP disclosed
WO-2018026866-A1 LIPID-SUBSTITUTED AMINO 1,2-AND 1,3-DIOL COMPOUNDS AS MODULATORS OF TLR2 DIMERIZATION NEUROPORE THERAPIES, INC. (US) 2018-02-08 — — WO disclosed
Send feedback