SCHEMBL19406629

SCHEMBL19406629

O=C(O)[C@@H]1CCC(c2ccccc2Cl)N1C(=O)C1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR2 O15552 15/20 1.00
▸ RAB9A P51151 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL29787710 1.00 FFAR2 (1.00) FFAR2RAB9ANPC1CYP1A2MAPT
SCHEMBL2037008 1.00 FFAR2 (1.00) FFAR2RAB9ANPC1CYP1A2MAPT
SCHEMBL2043877 0.80 FFAR2 (0.64) FFAR2RAB9ANPC1CYP1A2MAPT
SCHEMBL2554297 0.74 SMN1; SMN2 (0.78) RAB9ANPC1SMN1; SMN2
SCHEMBL18674667 0.74 SMN1; SMN2 (0.63) RAB9ANPC1SMN1; SMN2
SCHEMBL29787691 0.74 FFAR2 (1.00) FFAR2
SCHEMBL2037692 0.74 FFAR2 (1.00) FFAR2
SCHEMBL2039602 0.73 FFAR2 (0.59) FFAR2MAPTSMN1; SMN2
SCHEMBL2039599 0.73 FFAR2 (0.59) FFAR2MAPTSMN1; SMN2
SCHEMBL29787736 0.73 FFAR2 (0.59) FFAR2MAPTSMN1; SMN2

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-3610872-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EPICS THERAPEUTICS (BE) 2020-02-19 — — EP disclosed
EP-3074008-B1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATION EPICS THERAPEUTICS (BE) 2019-09-04 — — EP disclosed
EP-2513053-B1 Pyrrolidine carboxylic acid derivatives as agonists of G-protein coupled receptor 43 (GPR43), pharmaceutical composition and methods for use in treating metabolic disorders OGEDA SA (BE) 2017-10-04 — — EP disclosed
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