SCHEMBL30506304

SCHEMBL30506304

Cc1nn(C)c2cc(-c3noc(C4CCN(C(=O)C5CC(=O)N(c6ccccc6)C5)CC4)n3)ncc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ GRM5 P41594 6/20 0.43
▸ SMO Q99835 2/20 0.42
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ POLB P06746 2/20 0.39
▸ HSD11B1 P28845 3/20 0.39
▸ EPHX2 P34913 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL20116591 1.00 TSHR (0.43) TSHRSMN1; SMN2NPC1GRM5SMO
SCHEMBL20116106 0.89 GRM5 (0.47) TSHRSMN1; SMN2NPC1GRM5HSD11B1
SCHEMBL30506344 0.89 GRM5 (0.47) TSHRSMN1; SMN2NPC1GRM5HSD11B1
SCHEMBL30506241 0.89 GRM5 (0.47) TSHRSMN1; SMN2NPC1GRM5HSD11B1
SCHEMBL20116104 0.89 GRM5 (0.47) TSHRSMN1; SMN2NPC1GRM5HSD11B1
SCHEMBL20116103 0.89 GRM5 (0.47) TSHRSMN1; SMN2NPC1GRM5HSD11B1
SCHEMBL20116711 0.87 TSHR (0.44) TSHRSMN1; SMN2NPC1GRM5SMO
SCHEMBL30506351 0.85 GRM5 (0.47) TSHRSMN1; SMN2NPC1GRM5HSD11B1
SCHEMBL20116503 0.85 GRM5 (0.47) TSHRSMN1; SMN2NPC1GRM5HSD11B1
SCHEMBL22358157 0.82 GRM5 (0.51) TSHRSMN1; SMN2GRM5TP53MAPK1

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
CN-117777121-A Compounds and uses thereof 詹森药业有限公司 2024-03-29 — — CN disclosed
CN-110099898-B Compounds and uses thereof 优曼尼蒂治疗公司 2023-07-25 — — CN disclosed
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