SCHEMBL31475490

SCHEMBL31475490

CCCCC1CCCC12CC(=O)NC(=O)C2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.30
CYP19A1 P11511 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
Hydrochloric Acid SCHEMBL31475492 0.98 TDP1 (0.55) TDP1KDM4ELMNACYP2C19ALDH1A1
SCHEMBL38665248 0.69 TDP1 (0.43) TDP1ALDH1A1
SCHEMBL23925543 0.67 TDP1 (0.48) TDP1ALDH1A1CYP1A2L3MBTL1
SCHEMBL9834885 0.67 TDP1 (0.42) TDP1CYP1A2
SCHEMBL15655838 0.66 TDP1 (0.46) TDP1LMNACYP1A2HTT
Ammonia Solution, Strong SCHEMBL27649397 0.66 TDP1 (0.46) TDP1CYP1A2
SCHEMBL27200254 0.66 TDP1 (0.47) TDP1ALDH1A1CYP1A2L3MBTL1
SCHEMBL27200247 0.66 TDP1 (0.47) TDP1ALDH1A1CYP1A2L3MBTL1
SCHEMBL19263000 0.65 TDP1 (0.45) TDP1LMNACYP1A2HTT
SCHEMBL28738547 0.65 TDP1 (0.45) TDP1PKMCYP1A2

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
CN-119409681-A Preparation method of buspirone hydrochloride 北京华素制药股份有限公司 2025-02-11 CN claimed
CN-119409681-B Preparation method of buspirone hydrochloride 北京华素制药股份有限公司 2025-12-16 CN disclosed
CN-119409681-A Preparation method of buspirone hydrochloride 北京华素制药股份有限公司 2025-02-11 CN disclosed
CN-119409681-A Preparation method of buspirone hydrochloride 北京华素制药股份有限公司 2025-02-11 CN disclosed