SCHEMBL11079680

SCHEMBL11079680

S=c1[nH]ccn1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DBH P09172 14/20 1.00
ALDH1A1 P00352 2/20 1.00
POLB P06746 2/20 0.69
CYP1A2 P05177 1/20 0.69
CYP3A4 P08684 1/20 0.69
HPGD P15428 1/20 0.69
TSHR P16473 1/20 0.69
NFKB1 P19838 1/20 0.69
BLM P54132 1/20 0.69
KMT2A Q03164 1/20 0.69
ATM Q13315 1/20 0.69

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
SCHEMBL10621224 0.81 DBH (1.00) DBHALDH1A1POLBCYP1A2CYP3A4
SCHEMBL10433798 0.78 DBH (0.64) DBHALDH1A1POLBCYP1A2CYP3A4
SCHEMBL10621217 0.78 DBH (0.66) DBHALDH1A1POLBCYP1A2CYP3A4
SCHEMBL4101771 0.77 DBH (0.62) DBHALDH1A1POLBCYP1A2CYP3A4
SCHEMBL9371273 0.75 DBH (0.60) DBHALDH1A1POLBCYP1A2CYP3A4
SCHEMBL6714636 0.74 DBH (1.00) DBHALDH1A1POLBCYP1A2CYP3A4
SCHEMBL7828943 0.74 ALDH1A1 (0.59) DBHALDH1A1POLBHPGDKMT2A
SCHEMBL2284397 0.73 DBH (0.57) DBHALDH1A1CYP3A4HPGDKMT2A
SCHEMBL9369333 0.72 DBH (0.56) DBHALDH1A1POLBCYP1A2CYP3A4
SCHEMBL9375216 0.72 DBH (0.56) DBHALDH1A1POLBCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4431815-A CARDIOTONIC AND ANTISHOCK AGENTS; ANTICOAGULANTS BURROUGHS WELLCOME CO. (US) 1984-02-14 US disclosed