SCHEMBL7803549

SCHEMBL7803549

COc1ccccc1N1CCN(C(=O)Nc2nc3ccccc3nc2OC)CC1.COc1ccccc1N1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
ADRB1 P08588 1/20 0.53
DRD2 P14416 1/20 0.53
CYP2C19 P33261 1/20 0.53
DRD3 P35462 1/20 0.53
HTR3A P46098 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
RAB9A P51151 1/20 0.52
HTR1A P08908 2/20 0.51
HTR1D P28221 2/20 0.51
HTR1B P28222 2/20 0.51
GAA P10253 1/20 0.51
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51

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 0.94 MAPT (0.57) HTR6CYP2C19MAPTLMNARAB9A
SCHEMBL27709550 0.88 MAPT (0.58) HTR6MAPTLMNARAB9AHTR1A
SCHEMBL7804699 0.86 MAPT (0.49) HTR6DRD3MAPTLMNARAB9A
SCHEMBL4917444 0.85 MAPT (0.61) HTR6MAPTLMNARAB9AHTR1A
SCHEMBL1138162 0.85 MAPT (0.61) HTR6MAPTLMNARAB9AHTR1A
SCHEMBL1138394 0.85 MAPT (0.53) HTR6MAPTLMNARAB9AHTR1A
SCHEMBL1138388 0.85 MAPT (0.55) HTR6DRD2DRD3MAPTLMNA
SCHEMBL4917897 0.85 MAPT (0.55) HTR6DRD2DRD3MAPTLMNA
SCHEMBL4922633 0.85 MAPT (0.53) HTR6MAPTLMNARAB9AHTR1A
SCHEMBL27709508 0.85 MAPT (0.59) HTR6MAPTLMNARAB9AHTR1A

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