SCHEMBL7978040

SCHEMBL7978040

CC(CCc1ccccc1)Nc1nc(N)nc(C(C)(C)F)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.46
G6PD P11413 1/20 0.39
POLB P06746 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
HTR6 P50406 1/20 0.38
SCN9A Q15858 1/20 0.38
KCNH3 Q9ULD8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL8101266 1.00 HTR7 (0.46) HTR7G6PDPOLBADRA1DHTR2C
SCHEMBL6246350 0.88 HTR7 (0.44) HTR7G6PDPOLBADRA1DHTR2C
SCHEMBL3433353 0.87 HTR7 (0.41) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL1551285 0.82 HTR7 (0.38) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL1552281 0.82 HTR7 (0.38) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL1551284 0.82 HTR7 (0.38) HTR7ADRA1DHTR2CADRA1AADRA1B
SCHEMBL7126204 0.82 HTR7 (0.50) HTR7ADRA1DADRA1AADRA1BKCNH3
SCHEMBL7978055 0.81 NPR3 (0.44) POLBSCN9AKCNH3ALDH1A1MEN1
SCHEMBL8085106 0.81 HTR7 (0.46) HTR7G6PDPOLBADRA1DHTR2C
SCHEMBL8085109 0.81 HTR7 (0.46) HTR7G6PDPOLBADRA1DHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271178-B1 APPLYING TO PLANTS; CONTROLLING WEEDS BAYER AG (DE) 2001-08-07 US disclosed
EP-1060170-A1 OPTICALLY ACTIVE SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES AS HERBICIDES Bayer Aktiengesellschaft (DE) 2000-12-20 EP disclosed
WO-1999044999-A1 OPTICALLY ACTIVE SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-09-10 WO disclosed
EP-0932605-A1 SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINE AS HERBICIDE BAYER AG (DE) 1999-08-04 EP disclosed
WO-1998015538-A1 SUBSTITUTED 2,4-DIAMINO-1,3,5-TRIAZINE AS HERBICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-04-16 WO disclosed