SCHEMBL9130649

SCHEMBL9130649

CNC(CN1CCCC1)c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
UTS2R Q9UKP6 4/20 0.44
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
AKT1 P31749 1/20 0.42
TSHR P16473 2/20 0.42
NTSR1 P30989 1/20 0.42
SLC6A2 P23975 2/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC22A1 O15245 1/20 0.41
CHRM2 P08172 1/20 0.41
HTR1A P08908 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
SCHEMBL8716789 1.00 POLB (0.49) POLBKDM4EALDH1A1UTS2RUSP2
SCHEMBL8720321 0.85 HRH3 (0.45) KDM4EALDH1A1USP2TSHRMEN1
SCHEMBL2950815 0.83 LMNA (0.40) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL2950066 0.83 LMNA (0.40) POLBKDM4EALDH1A1MEN1KMT2A
SCHEMBL9015341 0.83 UGCG (0.44) POLBKDM4EALDH1A1ALOX15SLC6A2
SCHEMBL5559775 0.83 ALDH1A1 (0.46) POLBKDM4EALDH1A1TSHRCYP3A4
SCHEMBL5844785 0.83 ALDH1A1 (0.46) POLBKDM4EALDH1A1TSHRCYP3A4
SCHEMBL5559778 0.83 ALDH1A1 (0.46) POLBKDM4EALDH1A1TSHRCYP3A4
SCHEMBL14451981 0.81 RPS6KB1 (0.47) AKT1SLC6A2SLC6A4OPRM1SLC6A3
SCHEMBL17574260 0.81 ALDH1A1 (0.45) POLBALDH1A1TSHRNTSR1CYP3A4

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-5472961-A Acetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-12-05 US disclosed