SCHEMBL27804979

SCHEMBL27804979

CN(C)c1nc(N2CCN(c3ccccc3)CC2)nc(C2CNCCO2)c1N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CETP P11597 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ DRD2 P14416 2/20 0.34
▸ HTR2A P28223 2/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL27804988 0.88 HRH1 (0.36) GAAMAPTCETPLMNATSHR
SCHEMBL27825625 0.81 HPGD (0.40) GAAMAPTLMNATSHRDRD2
SCHEMBL27825623 0.78 CETP (0.36) GAAMAPTCETPLMNATSHR
SCHEMBL27805023 0.74 KCNH2 (0.36) GAAMAPTLMNATSHRDRD2
SCHEMBL1123804 0.73 MAPT (0.53) GAAMAPTLMNATSHRALDH1A1
SCHEMBL27967265 0.72 MAPT (0.40) GAAMAPTCETPLMNATSHR
SCHEMBL27805003 0.72 MAPT (0.42) GAAMAPTLMNATSHRKCNH2
SCHEMBL28786910 0.71 MAPT (0.47) GAAMAPTLMNATSHRDRD2
SCHEMBL27805002 0.71 MAPT (0.36) GAAMAPTLMNATSHRKCNH2
SCHEMBL27825633 0.70 CASP1 (0.44) MAPTCETPHTR1AHTR7

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-102046609-B pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2014-05-14 — — CN claimed
CN-102046609-A pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2011-05-04 — — CN claimed
CN-102046609-B pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2014-05-14 — — CN disclosed
CN-102046609-A pyrimidine derivative having cell-protective effect and use thereof ZENYAKU KOGYO KK 2011-05-04 — — CN disclosed
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