SCHEMBL6961204

SCHEMBL6961204

COc1cc(C)c(C)cc1NC(=O)N1CCN(c2cc(C)ccc2OC)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.62
HTR1D P28221 9/20 0.62
HTR1B P28222 9/20 0.62
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
THRB P10828 2/20 0.56
RBP4 P02753 3/20 0.55
HTR2A P28223 2/20 0.53
HTR2C P28335 2/20 0.53
HTR7 P34969 2/20 0.53
HTR6 P50406 2/20 0.53
PANK3 Q9H999 1/20 0.52
LMNA P02545 2/20 0.51
GRIN2B Q13224 1/20 0.50

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
SCHEMBL6960558 0.87 MAPT (0.67) HTR1AHTR1DHTR1BMAPTRAB9A
SCHEMBL6965642 0.86 ALDH1A1 (0.58) HTR1AHTR1DHTR1BLMNA
SCHEMBL3442215 0.86 HTR1A (0.61) HTR1AHTR1DHTR1BMAPTRAB9A
SCHEMBL6959675 0.83 THRB (0.53) HTR1AHTR1DHTR1BMAPTRAB9A
SCHEMBL6967002 0.83 RBP4 (0.76) HTR1AHTR1DHTR1BMAPTRAB9A
SCHEMBL6965400 0.83 RBP4 (0.60) HTR1AHTR1DHTR1BMAPTRAB9A
SCHEMBL6960605 0.82 RBP4 (0.54) HTR1AHTR1DHTR1BMAPTRAB9A
SCHEMBL6966493 0.81 RBP4 (0.56) HTR1AHTR1DHTR1BMAPTRBP4
SCHEMBL6960722 0.81 RBP4 (0.71) HTR1AHTR1DHTR1BMAPTRAB9A
SCHEMBL6960101 0.81 MAPT (0.59) HTR1AHTR1DHTR1BMAPTRAB9A

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