SCHEMBL19711571

SCHEMBL19711571

Fc1c(Cl)cc(I)c2c1CCNC2

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 9/20 0.49
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 2/20 0.39
HTR2A P28223 6/20 0.34
HTR2C P28335 6/20 0.34
HTR2B P41595 5/20 0.34
HTR6 P50406 2/20 0.34
TAAR1 Q96RJ0 1/20 0.33

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
SCHEMBL19711557 0.82 PNMT (0.39) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL19684796 0.79 PNMT (0.49) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL19710976 0.79 PNMT (0.37) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL23735162 0.79 PNMT (0.37) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL23897085 0.77 PRMT5 (0.36) PNMTADRA2AADRA2BADRA2C
SCHEMBL23735224 0.77 HTR2C (0.35) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL19710968 0.77 PNMT (0.35) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL19684794 0.76 PNMT (0.45) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL19710964 0.76 HTR2A (0.41) PNMTADRA2AADRA2BADRA2CHTR2A
SCHEMBL19710973 0.76 PNMT (0.34) PNMTHTR2AHTR2CHTR2B

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-3464249-B1 SUBSTITUTED CARBONUCLEOSIDE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER (US) 2021-08-11 EP disclosed
WO-2017213825-A1 TREATMENT METHODS HAVING REDUCED DRUG-RELATED TOXICITY AND METHODS OF IDENTIFYING THE LIKELIHOOD OF PATIENT HARM FROM PRESCRIBED MEDICATIONS TABULA RASA HEALTHCARE, INC. (US) 2017-12-14 WO disclosed