SCHEMBL7804699

SCHEMBL7804699

COc1ccccc1N1CCN(C(=O)Nc2nc3ccccc3nc2OC)CC1.COc1nc2ccccc2nc1NC(=O)Oc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
RAB9A P51151 1/20 0.49
HTR1A P08908 2/20 0.48
HTR1D P28221 2/20 0.48
HTR1B P28222 2/20 0.48
GAA P10253 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR7 P34969 1/20 0.48
HTR6 P50406 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 2/20 0.47
ALDH1A1 P00352 1/20 0.47
FAAH O00519 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL6559689 0.91 MAPT (0.57) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL7800642 0.88 PDGFRB (0.39) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL7804720 0.88 KMT2A (0.41) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL7804724 0.86 PDGFRB (0.39) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL7803067 0.86 MAPT (0.51) MAPTGAAHTTTSHRMEN1
SCHEMBL7803549 0.86 HTR6 (0.53) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL27709550 0.85 MAPT (0.58) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL1138394 0.85 MAPT (0.53) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL4922633 0.85 MAPT (0.53) MAPTRAB9AHTR1AHTR1DHTR1B
SCHEMBL7800857 0.84 KMT2A (0.42) MAPTHTR1AGAALMNAALDH1A1

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
EP-1075469-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 2001-02-14 EP disclosed
WO-2000052001-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-09-08 WO disclosed