SCHEMBL7989623

SCHEMBL7989623

CN(C)CCCc1[c][nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.53
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
HTR2B P41595 2/20 0.44
HTR1A P08908 1/20 0.44
HTR6 P50406 2/20 0.43
MPO P05164 4/20 0.40
XDH P47989 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MBTD1 Q05BQ5 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
RAD52 P43351 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 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
SCHEMBL4142895 0.81 KDM4E (0.42) ALDH1A1
SCHEMBL3244780 0.80 CTSV (0.44) ALDH1A1
SCHEMBL928608 0.80 ALDH1A1 (0.47) SLC6A4HTR2AHTR2CHTR2BHTR1A
SCHEMBL6470274 0.78 CHRNB2 (0.41) HTR2AALDH1A1
SCHEMBL16432092 0.74 TAAR1 (0.46) SLC6A4HTR2AHTR2CHTR2BHTR6
SCHEMBL640081 0.73 KIF11 (0.39) ALDH1A1
SCHEMBL7404828 0.70 HTR2A (0.36) HTR2AHTR2CHTR2BHTR6MPO
SCHEMBL3381548 0.70 ALDH1A1 (0.36) ALDH1A1L3MBTL1
SCHEMBL4724357 0.70 AHR (0.38) SLC6A4HTR2AHTR2CHTR2BHTR1A
SCHEMBL5327645 0.70 ALDH1A1 (0.36) ALDH1A1

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
WO-2000008202-A9 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN INC (US) 2000-07-27 WO disclosed
WO-2000008202-A2 3-METHYLIDENYL-2-INDOLINONE MODULATORS OF PROTEIN KINASE SUGEN, INC. (US) 2000-02-17 WO disclosed