SCHEMBL8114271

SCHEMBL8114271

COc1ccc2c(ccn2CCCC#N)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.56
MTNR1A P48039 4/20 0.51
MTNR1B P49286 4/20 0.51
HTR2A P28223 1/20 0.48
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
PRMT5 O14744 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
MCL1 Q07820 2/20 0.42
HTR7 P34969 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
SMPD1 P17405 1/20 0.41

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
SCHEMBL8121319 0.91 HTR2C (0.55) HTR2CMTNR1AMTNR1BHTR2AHDAC3
SCHEMBL10413240 0.82 MTNR1A (0.59) HTR2CMTNR1AMTNR1BHTR2AHDAC3
SCHEMBL22930100 0.81 HTR2C (0.61) HTR2CMTNR1AMTNR1BHTR2AHDAC3
SCHEMBL8112503 0.81 HTR2C (0.63) HTR2CMTNR1AMTNR1BHTR2AKDM4E
SCHEMBL18856948 0.81 MTNR1A (0.58) HTR2CMTNR1AMTNR1BHTR2AHDAC3
SCHEMBL14041592 0.81 MTNR1A (0.58) HTR2CMTNR1AMTNR1BHTR2AHDAC3
SCHEMBL4394621 0.79 MTNR1A (0.56) HTR2CMTNR1AMTNR1BHTR2AHDAC3
SCHEMBL5841872 0.79 HTR2C (0.55) HTR2CMTNR1AMTNR1BHTR2AHDAC3
SCHEMBL18857024 0.79 MTNR1A (0.62) HTR2CMTNR1AMTNR1BHTR2AHDAC3
SCHEMBL21245824 0.78 HTR2C (0.57) HTR2CMTNR1AMTNR1BHTR2AHDAC3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0642513-B1 INDOLOCARBAZOLE IMIDES AND THEIR USE KTB TUMORFORSCHUNGSGESELLSCHAF (DE) 2000-08-09 EP disclosed
US-5945440-A Indolocarbazole imides and the use thereof GOEDECKE AKTIENGESELLSCHAFT (DE) 1999-08-31 US disclosed
US-5883114-A TREATING CANCEROUS TUMORS, INFLAMMATORY DISEASES, AND ALLERGIES GOEDECKE AKTIENGESELLSCHAFT (DE) 1999-03-16 US disclosed
EP-0642513-A1 INDOLOCARBAZOLE IMIDES AND THEIR USE GÖDECKE AKTIENGESELLSCHAFT (DE) 1995-03-15 EP disclosed
WO-1993024491-A1 INDOLOCARBAZOLE IMIDES AND THEIR USE Gödecke Aktiengesellschaft (DE) 1993-12-09 WO disclosed