SCHEMBL27804989

SCHEMBL27804989

Fc1ccccc1N1CCN(c2nc(C3CNCCO3)c(F)c(N3CCNCC3)n2)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 6/20 0.36
▸ SLC6A4 P31645 6/20 0.36
▸ HTR1A P08908 3/20 0.36
▸ SLC6A3 Q01959 2/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ SLC2A2 P11168 1/20 0.35
▸ SLC2A3 P11169 1/20 0.35
▸ HTR6 P50406 2/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ HTR3A P46098 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL27805003 0.92 MAPT (0.42) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL27804976 0.92 MAPT (0.39) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL27825641 0.89 SLC6A2 (0.35) SLC6A2SLC6A4HTR1ASLC6A3HRH1
SCHEMBL27825610 0.85 TP53 (0.45) MAPTLMNATP53
SCHEMBL27805098 0.85 PLD1 (0.47) HRH1KCNH2MAPTLMNAHTT
SCHEMBL27805016 0.83 HRH1 (0.35) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL27805002 0.81 MAPT (0.36) SLC6A2SLC6A4SLC6A3HRH1KCNH2
SCHEMBL27804969 0.80 CETP (0.40) HRH1KCNH2
SCHEMBL27804968 0.80 CETP (0.40) HRH1KCNH2
SCHEMBL1123818 0.80 POLB (0.49) SLC6A2SLC6A4HTR1ASLC6A3LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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