SCHEMBL6964324

SCHEMBL6964324

COc1ccc(C)cc1N1CCN(C(=O)Nc2cc3ccccc3nc2C)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
RAB9A P51151 1/20 0.54
RBP4 P02753 3/20 0.53
HTR1A P08908 10/20 0.52
HTR1D P28221 10/20 0.52
HTR1B P28222 10/20 0.52
HTR2C P28335 4/20 0.51
HTR6 P50406 4/20 0.51
HTR2A P28223 3/20 0.51
HTR7 P34969 2/20 0.51
THRB P10828 1/20 0.50
FAAH O00519 1/20 0.48
PANK3 Q9H999 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL6954910 0.91 MAPT (0.53) MAPTRAB9ARBP4HTR1AHTR1D
SCHEMBL6963523 0.91 MAPT (0.60) MAPTRAB9ARBP4HTR1AHTR1D
SCHEMBL6962010 0.82 RBP4 (0.57) RAB9ARBP4HTR1AHTR1DHTR1B
SCHEMBL6956583 0.82 KMT2A (0.53) MAPTRBP4FAAHKDM4EMAPK1
SCHEMBL6966945 0.81 MAPT (0.57) MAPTRAB9ARBP4HTR1AHTR1D
SCHEMBL6961396 0.81 PANK3 (0.63) MAPTHTR1AHTR1DHTR1BHTR2C
SCHEMBL6960999 0.81 KDM4E (0.52) PANK3KDM4E
SCHEMBL6961546 0.80 KDM4E (0.48) MAPTRBP4HTR1AFAAHPANK3
SCHEMBL6961576 0.80 HTR1A (0.55) MAPTRAB9ARBP4HTR1AHTR1D
SCHEMBL6952726 0.80 MAPT (0.55) MAPTRAB9AFAAHPANK3KDM4E

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-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 EP disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed