SCHEMBL4600182

SCHEMBL4600182

CN(CCCNC(=O)OC(C)(C)C)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.62
TMEM97 Q5BJF2 11/20 0.62
APP P05067 2/20 0.58
ACKR3 P25106 2/20 0.57
OPRM1 P35372 2/20 0.55
OPRK1 P41145 1/20 0.55

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
SCHEMBL1459336 0.92 SIGMAR1 (0.55) SIGMAR1TMEM97APP
SCHEMBL30380101 0.88 SIGMAR1 (0.61) SIGMAR1TMEM97
SCHEMBL31687500 0.87 SIGMAR1 (0.58) SIGMAR1TMEM97APPACKR3
SCHEMBL31687499 0.87 SIGMAR1 (0.58) SIGMAR1TMEM97APPACKR3
SCHEMBL3151917 0.87 SIGMAR1 (0.48) SIGMAR1TMEM97APPACKR3OPRM1
SCHEMBL31687472 0.86 SIGMAR1 (0.61) SIGMAR1TMEM97ACKR3OPRM1OPRK1
SCHEMBL26000432 0.86 AKT1 (0.53) SIGMAR1TMEM97
SCHEMBL31687519 0.86 ACKR3 (0.57) SIGMAR1TMEM97APPACKR3
SCHEMBL24510674 0.85 ACHE (0.59)
SCHEMBL30958274 0.85 ACHE (0.59)

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-4620949-A1 ACKR3 MODULATORS FOR CARDIOVASCULAR OR ANTIPLATELET THERAPY Eberhard Karls Universität Tübingen (Medizinische Fakultät) (DE) 2025-09-24 EP disclosed
EP-1914235-A1 CHIRAL TETRA-HYDRO BETA-CARBOLINE DERIVATIVES AND APPLICATIONS THEREOF AS ANTIPARASITIC COMPOUNDS Universite de Lille 2 Droit et Santé (FR) 2008-04-23 EP disclosed
EP-1914235-A1 CHIRAL TETRA-HYDRO BETA-CARBOLINE DERIVATIVES AND APPLICATIONS THEREOF AS ANTIPARASITIC COMPOUNDS Universite de Lille 2 Droit et Santé (FR) 2008-04-23 EP disclosed
WO-2008044144-A2 CHIRAL TETRA-HYDRO BETA-CARBOLIC DERIVATIVES AND APPLICATIONS THEREOF AS ANTIPARASITIC COMPOUNDS UNIVERSITE DE LILLE 2, UNIVERSITÉ DU DROIT ET DE LA SANTÉ (FR) 2008-04-17 WO disclosed