SCHEMBL29696916

SCHEMBL29696916

O=C(NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1)c1cccc2[nH]ccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.41
▸ BRD4 O60885 2/20 0.38
▸ SYK P43405 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ BRD2 P25440 1/20 0.38
▸ BRD3 Q15059 1/20 0.38
▸ BRDT Q58F21 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ DRD4 P21917 3/20 0.36
▸ AHR P35869 1/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ HDAC9 Q9UKV0 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
SCHEMBL24583722 1.00 ATR (0.41) ATRBRD4SYKABCB11BRD2
SCHEMBL29696827 0.91 CD38 (0.40) ATRBRD4SYKABCB11BRD2
SCHEMBL24583842 0.91 CD38 (0.40) ATRBRD4SYKABCB11BRD2
SCHEMBL29696698 0.90 AHR (0.47) L3MBTL1DRD4AHRMEN1POLB
SCHEMBL25273121 0.90 AHR (0.47) L3MBTL1DRD4AHRMEN1POLB
SCHEMBL25273122 0.90 AHR (0.47) L3MBTL1DRD4AHRMEN1POLB
SCHEMBL25221747 0.88 TNKS (0.44) DRD4JAK2JAK1TYK2JAK3
SCHEMBL29696777 0.88 TNKS (0.44) DRD4JAK2JAK1TYK2JAK3
SCHEMBL25273921 0.87 PDE4B (0.42) ATRBRD4SYKABCB11BRD2
SCHEMBL25220189 0.87 PDE4B (0.42) ATRBRD4SYKABCB11BRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4267553-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2023-11-01 — — EP disclosed
WO-2022140520-A1 MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS AND METHODS ESCIENT PHARMACEUTICALS, INC. (US) 2022-06-30 — — WO disclosed
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