SCHEMBL6614938

SCHEMBL6614938

Clc1cccc(CC2CNc3ccc(Br)cc3CN2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SLC6A4 P31645 5/20 0.40
HTR6 P50406 2/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
PNMT P11086 7/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35

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
SCHEMBL6618341 0.86 MEN1 (0.51) MEN1KMT2ASLC6A4PNMTADRA2A
SCHEMBL6616133 0.86 MEN1 (0.68) MEN1KMT2APNMTADRA2AADRA2B
SCHEMBL6618053 0.86 MEN1 (0.68) MEN1KMT2APNMTADRA2AADRA2B
SCHEMBL6633380 0.83 MEN1 (0.56) MEN1KMT2APNMTADRA2AADRA2B
SCHEMBL6615168 0.83 MEN1 (0.56) MEN1KMT2APNMTADRA2AADRA2B
SCHEMBL6615945 0.81 MEN1 (0.68) MEN1KMT2AHTR2A
SCHEMBL6633687 0.81 MEN1 (0.68) MEN1KMT2AHTR2A
SCHEMBL6640481 0.81 MEN1 (0.51) MEN1KMT2APNMTADRA2AADRA2B
SCHEMBL6640477 0.81 MEN1 (0.51) MEN1KMT2APNMTADRA2AADRA2B
SCHEMBL6615300 0.80 MEN1 (0.46) MEN1KMT2ASLC6A4HTR6PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1481975-A1 Inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 2004-12-01 EP disclosed
EP-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
US-6455523-B1 ADMINISTERING 1,4-BENZODIAZEPINE DERIVATIVE AS ANTITUMOR OR ANTICARCINOGENIC AGENT BRISTOL-MYERS SQUIBB COMPANY 2002-09-24 US disclosed
US-6011029-A BENZODIAZEPINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-01-04 US disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO disclosed