SCHEMBL31369337

SCHEMBL31369337

CC(C)Cc1cc[nH]c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
ADRB1 P08588 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR1E P28566 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR7 P34969 1/20 0.31
HTR2B P41595 1/20 0.31
HTR6 P50406 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL15534264 0.76 GABRA1 (0.40) GABRA1GABRB2KDM4E
SCHEMBL12701600 0.74 GABRA1 (0.39) GABRA1GABRB2
SCHEMBL20927590 0.71 GABRA1 (0.33) GABRA1GABRB2
SCHEMBL10960074 0.71 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL27293304 0.67 GPR84 (0.49) KDM4EMAPTHTR1AADRA2ASLC6A2
SCHEMBL1126594 0.66 GABRA1 (0.32) GABRA1GABRB2ADRB1
SCHEMBL23420351 0.65 HTR2A (0.39) GABRA1GABRB2KDM4EMAPTADRB1
SCHEMBL12673823 0.65
SCHEMBL3960659 0.65 GABRA1 (0.60) GABRA1GABRB2SLC6A2SLC6A4SLC6A3
SCHEMBL28072313 0.65

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
US-12410376-B2 Water based semi-synthetic metal working fluid composition containing an alkyl alcohol amine DOW GLOBAL TECHNOLOGIES LLC (US) 2025-09-09 US disclosed
US-20250051676-A1 WATER BASED SEMI-SYNTHETIC METAL WORKING FLUID COMPOSITION CONTAINING AN ALKYL ALCOHOL AMINE DOW CHEMICAL (CHINA) INVESTMENT COMPANY LIMITED (CN) 2025-02-13 US disclosed