SCHEMBL6618092

SCHEMBL6618092

Clc1ccc2c(c1)NCCNC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.56
HTR2A P28223 7/20 0.46
HTR2C P28335 7/20 0.46
HTR2B P41595 4/20 0.46
CMA1 P23946 1/20 0.42
AHR P35869 1/20 0.42
ASIC3 Q9UHC3 1/20 0.41
F7 P08709 1/20 0.40
PARP1 P09874 1/20 0.40
F3 P13726 1/20 0.40
PARP10 Q53GL7 1/20 0.40
HTR3E A5X5Y0 1/20 0.39
HTR3B O95264 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
HTR5A P47898 1/20 0.38

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
SCHEMBL3136478 0.85 PNMT (0.56) PNMTHTR2AHTR2CHTR2BCMA1
SCHEMBL28823705 0.78 PNMT (0.58) PNMTHTR2AHTR2CHTR2BCMA1
SCHEMBL30430557 0.78 PNMT (0.58) PNMTHTR2AHTR2CHTR2BCMA1
SCHEMBL29924038 0.78 F7 (0.56) PNMTHTR2AHTR2CHTR2BCMA1
SCHEMBL549646 0.78 F7 (0.56) PNMTHTR2AHTR2CHTR2BCMA1
SCHEMBL2062026 0.77 KDM4E (0.41) PNMTHTR2AHTR2CHTR2BASIC3
SCHEMBL3141037 0.77 PARP1 (0.40) PNMTHTR2AHTR2CASIC3PARP1
SCHEMBL9055504 0.77 ALDH1A1 (0.44) PNMTASIC3PARP1PARP10ADRA2A
Hydrochloric Acid SCHEMBL8645796 0.76 F7 (0.55) PNMTHTR2AHTR2CHTR2BCMA1
Ammonia Solution, Strong SCHEMBL7043924 0.76 F7 (0.55) PNMTHTR2AHTR2CHTR2BCMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115413275-A Substituted 1,1 , -biphenyl compounds and methods of use thereof 爱彼特生物制药公司 2022-11-29 CN disclosed
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