SCHEMBL6961576

SCHEMBL6961576

COc1ccc(-c2ccccc2)cc1N1CCN(C(=O)Nc2cc3ccccc3nc2OC)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.55
HTR1D P28221 8/20 0.55
HTR1B P28222 8/20 0.55
HTR2C P28335 4/20 0.55
HTR6 P50406 4/20 0.55
HTR2A P28223 3/20 0.55
RBP4 P02753 2/20 0.48
HTR7 P34969 2/20 0.48
TRPV1 Q8NER1 1/20 0.48
PDGFRB P09619 1/20 0.48
FAAH O00519 2/20 0.47
THRB P10828 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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 0.89 MAPT (0.53) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6966945 0.88 MAPT (0.57) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL8699566 0.85 HTR1A (0.53) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6962593 0.82 RBP4 (0.61) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6967897 0.82 KMT2A (0.49) RBP4TRPV1PDGFRBFAAHMEN1
SCHEMBL6966427 0.82 KMT2A (0.60) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL3442215 0.81 HTR1A (0.61) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL7139727 0.80 RBP4 (0.46) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6964324 0.80 MAPT (0.54) HTR1AHTR1DHTR1BHTR2CHTR6
SCHEMBL6965818 0.80 MAPT (0.58) HTR1AHTR1DHTR1BRBP4TRPV1

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 4 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
EP-0850222-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF Samjin Pharmaceutical Co., Ltd. (KR) 1998-07-01 EP disclosed
WO-1998000402-A1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1998-01-08 WO disclosed