SCHEMBL16759124

SCHEMBL16759124

O=C(OOC1CCCNC1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
F2 P00734 1/20 0.46
LMNA P02545 1/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL16759127 0.85 CHRNA7 (0.55) KMT2ACHRNA7CHRNB2CHRNA4CHRNB4
Hydrochloric Acid SCHEMBL6621806 0.84 CHRNA7 (0.54) KMT2ACHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL27867042 0.82 LMNA (0.57) KMT2AF2LMNACHRNA7HTR3E
SCHEMBL27390676 0.81 LMNA (0.55) KMT2AF2LMNACHRNA7HTR3E
SCHEMBL27771638 0.81 CHRNA7 (0.54) KMT2ALMNACHRNA7HTR3EHTR3B
Benzamide SCHEMBL16758814 0.79 KMT2A (0.40) KMT2AHTR1ASLC6A2TSHRHSD17B10
SCHEMBL14256059 0.77 SCN1A (0.56) KMT2ACHRNA7CHRNB2CHRNA4CHRNB4
SCHEMBL16759167 0.77 KMT2A (0.48) KMT2AALDH1A1
SCHEMBL16759023 0.76 KMT2A (0.58) KMT2AF2LMNACHRNA7CHRNB2
SCHEMBL14390376 0.75 CHRNA7 (0.58) KMT2ACHRNA7HTR3EHTR3BHTR3A

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
EP-3074377-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2016-10-05 EP disclosed
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 WO disclosed