SCHEMBL29239265

SCHEMBL29239265

CN1C(=O)C2CNCCN2c2ccc(NC3CCCNC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 3/20 0.43
HTR2C P28335 3/20 0.37
AXL P30530 3/20 0.36
BRD4 O60885 1/20 0.36
P2RX7 Q99572 1/20 0.36
BPTF Q12830 1/20 0.35
HTR6 P50406 3/20 0.35
ITK Q08881 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL29239264 1.00 PRKCQ (0.43) PRKCQHTR2CAXLBRD4P2RX7
SCHEMBL11456017 0.74 HTR2C (0.49) HTR2C
SCHEMBL26915074 0.73 HTR2C (0.47) HTR2CHTR6
SCHEMBL30729654 0.73 HTR2C (0.47) HTR2CHTR6
SCHEMBL26915066 0.73 HTR2C (0.47) HTR2CHTR6
Hydrochloric Acid SCHEMBL6421986 0.72 HTR2C (0.49) HTR2C
SCHEMBL30905836 0.71 CDK2 (0.45) PRKCQP2RX7HTR6ITKLMNA
SCHEMBL29114220 0.70 THRB (0.40) HTR2CLMNAMAPTTHRB
SCHEMBL29239267 0.67 HTR2C (0.36) HTR2C
SCHEMBL24171954 0.65 ITK (0.52) BRD4HTR6ITKMAPTPOLB

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-118005655-A Condensed ring compound, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-05-10 CN disclosed