SCHEMBL11019166

SCHEMBL11019166

CN1CCNC[C]1c1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.48
HTR1A P08908 1/20 0.44
PLD1 Q13393 1/20 0.44
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 0.41
HIF1A Q16665 1/20 0.41
DOHH Q9BU89 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
PIM1 P11309 2/20 0.39
PIM3 Q86V86 1/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 2/20 0.39

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
SCHEMBL3976296 0.74 HTR1A (0.41) HTR7HTR1A
SCHEMBL928949 0.70 HTR7 (0.47) HTR7HTR1APLD1KDM4ELMNA
Dipyridyl SCHEMBL11217314 0.69 HTR7 (0.53) HTR7HTR1APLD1KDM4ELMNA
SCHEMBL4858561 0.69 NISCH (0.36) KDM4ECYP1A2NISCHSMN1; SMN2ALDH1A1
SCHEMBL10298806 0.69 HTR7 (0.46) HTR7HTR1APLD1KDM4ELMNA
Dipyridyl SCHEMBL29189121 0.68 KDM4E (0.70) HTR7HTR1APLD1KDM4ELMNA
Dipyridyl SCHEMBL8655605 0.65 KDM4E (0.93) KDM4ELMNACYP1A2POLBCCR1
Dipyridyl SCHEMBL6885910 0.65 KDM4E (0.93) KDM4ELMNACYP1A2POLBCCR1
Dipyridyl SCHEMBL29072852 0.65 KDM4E (0.93) KDM4ELMNACYP1A2POLBCCR1
Dipyridyl SCHEMBL11767839 0.65 KDM4E (0.93) KDM4ELMNACYP1A2POLBCCR1

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
EP-0160910-A2 7-Deazapurine derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1985-11-13 EP disclosed