SCHEMBL24045893

SCHEMBL24045893

CC(C)(C)NSc1ccccc1-c1ccc(N2CCCCC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
GFER P55789 1/20 0.38
PDK2 Q15119 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 2/20 0.37
AKR1C3 P42330 2/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 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
SCHEMBL24045782 0.78 NPC1 (0.30) RAB9ANPC1
SCHEMBL24045765 0.73 FPR2 (0.48) HPGDLMNAGFERPDK2ALDH1A1
SCHEMBL24045801 0.71 MEN1 (0.53) HPGDMEN1LMNAKMT2AGFER
SCHEMBL24093571 0.71 RAB9A (0.53) RAB9ANPC1HPGDMEN1LMNA
SCHEMBL18955154 0.69 PIP4K2A (0.51) HPGDMEN1LMNAKMT2AALDH1A1
SCHEMBL27409503 0.69 ALDH1A1 (0.59) RAB9ANPC1HPGDMEN1LMNA
SCHEMBL76559 0.69 ALDH1A1 (0.59) RAB9ANPC1HPGDMEN1LMNA
SCHEMBL1691497 0.68 SMN1; SMN2 (0.54) RAB9ANPC1HPGDLMNAALDH1A1
SCHEMBL26779861 0.68 ALDH1A1 (0.64) RAB9ANPC1HPGDMEN1LMNA
Hydrochloric Acid SCHEMBL7459714 0.67 ALDH1A1 (0.58) RAB9ANPC1HPGDMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3414227-B1 PIPERIDINONE FORMYL PEPTIDE 2 RECEPTOR AND FORMYL PEPTIDE 1 RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-11-24 EP disclosed