SCHEMBL31687490

SCHEMBL31687490

CC(C)(C)OC(=O)N1CCCN(C(=O)c2csc(-c3ccccc3)n2)CC1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 2/20 0.63
▸ CKS1B P61024 2/20 0.53
▸ SKP1 P63208 2/20 0.53
▸ SKP2 Q13309 2/20 0.53
▸ HPGDS O60760 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ GPR119 Q8TDV5 1/20 0.47
▸ SCD5 Q86SK9 2/20 0.46
▸ HTR2C P28335 2/20 0.46
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ PIN1 Q13526 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ P2RY12 Q9H244 2/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL6912745 0.97 ACKR3 (0.66) ACKR3CKS1BSKP1SKP2HPGDS
SCHEMBL3543198 0.82 HTR2C (0.63) MEN1KMT2AHTR2CPTGDR2PIN1
SCHEMBL29944217 0.82 HTR2C (0.63) MEN1KMT2AHTR2CPTGDR2PIN1
SCHEMBL3547467 0.82 HTR2C (0.63) MEN1KMT2AHTR2CPTGDR2PIN1
SCHEMBL2142176 0.81 CHRM2 (0.54) ACKR3HPGDSSCD5HTR2C
SCHEMBL22221788 0.80 PTGDR2 (0.53) ACKR3HPGDSHTR2CPTGDR2PIN1
SCHEMBL2225857 0.80 HDAC1 (0.55) HPGDSHTR2CPTGDR2PIN1HDAC1
SCHEMBL12962315 0.79 KMT2A (0.57) MEN1KMT2APOLB
SCHEMBL22221684 0.79 ACKR3 (0.71) ACKR3CKS1BSKP1SKP2
SCHEMBL22221831 0.79 PTGDR2 (0.52) ACKR3HPGDSHTR2CPTGDR2PIN1

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-4620949-A1 ACKR3 MODULATORS FOR CARDIOVASCULAR OR ANTIPLATELET THERAPY Eberhard Karls Universität Tübingen (Medizinische Fakultät) (DE) 2025-09-24 — — EP disclosed
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