SCHEMBL15879441

SCHEMBL15879441

CCCCC(O)(CCCC)c1ccccc1-n1nnc2c(Cl)cccc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.36
▸ CNR2 P34972 1/20 0.32
▸ KCNMA1 Q12791 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ SLC9A1 P19634 2/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ DRD2 P14416 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ TLR8 Q9NR97 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
SCHEMBL5411424 0.76 GRM2 (0.36) GRM2KCNMA1KDM4ELMNASLC9A1
SCHEMBL5183293 0.72 KCNMA1 (0.59) GRM2KCNMA1LMNAP2RX7
SCHEMBL10825780 0.66 GRM2 (0.46) GRM2KDM4ELMNAP2RX7
SCHEMBL22326123 0.65 SMN1; SMN2 (0.40) GRM2KCNMA1
SCHEMBL9777378 0.64 KCNMA1 (0.49) GRM2KCNMA1
SCHEMBL14288448 0.64 HTR2A (0.51) KDM4ELMNA
SCHEMBL8617659 0.62 TSHR (0.47) CNR2
SCHEMBL31329335 0.62 ESR2 (0.41) CNR2P2RX7
SCHEMBL15873889 0.62 ESR1 (0.36) CNR2
SCHEMBL8938827 0.61 NR1I2 (0.43) GRM2KDM4ELMNADRD2DRD3

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
EP-2765145-B1 SILYLATED POLYBUTADIENE NIPPON SODA CO (JP) 2022-03-02 — — EP disclosed
US-9828448-B2 Silylated polybutadiene NIPPON SODA CO., LTD. (JP) 2017-11-28 — — US disclosed
EP-2765145-A1 SILYLATED POLYBUTADIENE Nippon Soda Co., Ltd. (JP) 2014-08-13 — — EP disclosed
US-20140206789-A1 SILYLATED POLYBUTADIENE NIPPON SODA CO., LTD. (JP) 2014-07-24 — — US disclosed
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