SCHEMBL29079567

SCHEMBL29079567

Cc1nn(C2CCC(=O)NC2=O)c2cccc(-c3cnn(CC4CCNCC4)c3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDB1 Q16531 14/20 0.43
▸ CRBN Q96SW2 14/20 0.43
▸ BMPR1A P36894 1/20 0.38
▸ ACVRL1 P37023 1/20 0.38
▸ ACVR1 Q04771 1/20 0.38
▸ PIM1 P11309 1/20 0.36
▸ CREBBP Q92793 1/20 0.35
▸ IKZF3 Q9UKT9 4/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TNF P01375 2/20 0.33
▸ IL1B P01584 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP3A5 P20815 1/20 0.33
▸ CYP3A7 P24462 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL30574621 1.00 DDB1 (0.43) DDB1CRBNBMPR1AACVRL1ACVR1
Hydrochloric Acid SCHEMBL29768012 0.92 CRBN (0.42) DDB1CRBNIKZF3CYP1A2ALDH1A1
Hydrochloric Acid SCHEMBL29079591 0.92 CRBN (0.42) DDB1CRBNIKZF3CYP1A2ALDH1A1
SCHEMBL29079571 0.90 CRBN (0.39) DDB1CRBNIKZF3CYP1A2ALDH1A1
SCHEMBL29768131 0.90 CRBN (0.39) DDB1CRBNIKZF3CYP1A2ALDH1A1
SCHEMBL29768169 0.88 CRBN (0.41) DDB1CRBNCREBBPIKZF3CYP1A2
SCHEMBL30574625 0.87 CRBN (0.41) DDB1CRBNIKZF3CYP1A2ALDH1A1
SCHEMBL29079630 0.87 CRBN (0.41) DDB1CRBNIKZF3CYP1A2ALDH1A1
SCHEMBL29079616 0.84 CRBN (0.55) DDB1CRBNBMPR1AACVRL1ACVR1
SCHEMBL29768057 0.84 CRBN (0.55) DDB1CRBNBMPR1AACVRL1ACVR1

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
CN-116648248-A Aromatic compound, pharmaceutical composition containing same and application thereof 成都茵创园医药科技有限公司 2023-08-25 — — CN disclosed
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