SCHEMBL30065590

SCHEMBL30065590

CC(=O)c1cc(Cl)ccc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.55
LSS P48449 2/20 0.55
PTGS2 P35354 1/20 0.55
TP53 P04637 2/20 0.54
POLB P06746 1/20 0.53
AKR1C3 P42330 1/20 0.51
HRH3 Q9Y5N1 1/20 0.50
LMNA P02545 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49

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
SCHEMBL30064686 0.91 KDM4E (0.54) GPR183LSSPTGS2TP53POLB
SCHEMBL30064678 0.88 TP53 (0.59) GPR183LSSTP53POLBLMNA
SCHEMBL30064696 0.81 KDM4E (0.70) LMNATSHR
SCHEMBL5060872 0.78 CCR1 (0.62) POLBLMNATSHR
SCHEMBL30064685 0.78 SIGMAR1 (0.56) POLBLMNATSHR
SCHEMBL30065423 0.77 LMNA (0.60) POLBLMNA
SCHEMBL2931705 0.77 AKR1C3 (0.65) GPR183LSSTP53POLBAKR1C3
SCHEMBL30064781 0.76
SCHEMBL22972976 0.74 WNK1 (0.62) GPR183LSSPTGS2TP53POLB
SCHEMBL29719297 0.74 WNK1 (0.62) GPR183LSSPTGS2TP53POLB

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-110615774-B Benzyl piperazine compound with anti-inflammatory activity, preparation method and medical application 安徽中医药大学 2022-11-11 CN disclosed