SCHEMBL9769371

SCHEMBL9769371

CN(C)Cc1ccccc1C(O)c1ccsc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.57
SLC6A2 P23975 6/20 0.57
SLC6A3 Q01959 3/20 0.57
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALOX5 P09917 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9665701 0.76 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3MEN1MAPT
SCHEMBL9664389 0.76 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3MEN1MAPT
SCHEMBL23003619 0.73 GABRA1 (0.41) MEN1MAPTCYP2C9KMT2ALMNA
SCHEMBL10903974 0.71 IDO1 (0.38) MEN1MAPTCYP2C9KMT2AALOX5
SCHEMBL9769205 0.70 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3KMT2ASMN1; SMN2
SCHEMBL5104539 0.69 ALOX5 (0.42) SLC6A4SLC6A2SLC6A3CHRNB2CHRNB4
SCHEMBL17100358 0.69 HTR1A (0.40) SLC6A4SLC6A2SMN1; SMN2
SCHEMBL477486 0.68 IDO1 (0.52) SLC6A2SLC6A3LMNAALOX5SMN1; SMN2
SCHEMBL681660 0.68 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL11727401 0.66 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3MEN1KMT2A

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-5030647-A Anti-inflammatory thienylbenzylamine compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1991-07-09 US disclosed