SCHEMBL19839702

SCHEMBL19839702

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

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 12/20 0.57
▸ NMT2 O60551 11/20 0.57
▸ MC4R P32245 3/20 0.57
▸ MC1R Q01726 3/20 0.57
▸ MC3R P41968 2/20 0.56
▸ METAP2 P50579 1/20 0.51
▸ METAP1 P53582 1/20 0.51
▸ TLR2 O60603 2/20 0.50
▸ MC5R P33032 1/20 0.49
▸ BCHE P06276 1/20 0.48
▸ CPB2 Q96IY4 1/20 0.47

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
SCHEMBL19839703 1.00 NMT1 (0.57) NMT1NMT2MC4RMC1RMC3R
Hydrochloric Acid SCHEMBL19839690 0.99 NMT1 (0.56) NMT1NMT2MC4RMC1RMC3R
Hydrochloric Acid SCHEMBL19839689 0.99 NMT1 (0.56) NMT1NMT2MC4RMC1RMC3R
SCHEMBL19839628 0.90 MC4R (0.55) NMT1NMT2MC4RMC1RMC3R
SCHEMBL19839630 0.90 MC4R (0.55) NMT1NMT2MC4RMC1RMC3R
SCHEMBL28291231 0.90 MC4R (0.57) NMT1NMT2MC4RMC1RMC3R
SCHEMBL19851498 0.85 MC4R (0.51) NMT1NMT2MC4RMC1RMC3R
SCHEMBL28291262 0.79 MC4R (0.57) MC4RMC1RMC3RTLR2MC5R
SCHEMBL19839775 0.78 MC4R (0.57) MC4RMC1RMC3RTLR2MC5R
SCHEMBL19839774 0.78 MC4R (0.57) MC4RMC1RMC3RTLR2MC5R

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
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
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
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