SCHEMBL7757512

SCHEMBL7757512

CC(C)CCC(CCC(C)C)NCCCN1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHRM5 P08912 2/20 0.35
CHRM3 P20309 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
RAD52 P43351 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
POLB P06746 1/20 0.33
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL10493625 0.94 CXCR4 (0.44) CXCR4MEN1KMT2AALDH1A1RECQL
SCHEMBL9322707 0.85 FPR3 (0.40) MEN1KMT2ASMN1; SMN2TP53
SCHEMBL9322327 0.83 HRH3 (0.42) SMN1; SMN2TP53SIGMAR1
SCHEMBL9321377 0.83 HRH3 (0.42) SMN1; SMN2TP53SIGMAR1
SCHEMBL9321403 0.83 HRH3 (0.42) SMN1; SMN2TP53SIGMAR1
SCHEMBL10035773 0.81 CXCR4 (0.50) CXCR4MEN1KMT2AALDH1A1RECQL
SCHEMBL26939746 0.80 GNAO1 (0.41) CXCR4MEN1KMT2AALDH1A1RECQL
SCHEMBL9324718 0.79 HRH3 (0.45) SMN1; SMN2TP53SIGMAR1RAD52
SCHEMBL9322157 0.79 HRH3 (0.45) SMN1; SMN2TP53SIGMAR1RAD52
SCHEMBL13251374 0.79 CXCR4 (0.50) CXCR4MEN1KMT2AALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6235820-B1 ELECTRONICS CLEANING COMPOSITIONS AIR PRODUCTS AND CHEMICALS, INC. 2001-05-22 US disclosed
EP-1093023-A1 Photoresist developer compositions containing alkylated aminoalkylpiperazine surfactants AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-04-18 EP disclosed
US-6127101-A REDUCE EQUILIBRIUM AND DYNAMIC SURFACE TENSION IN WATER-BASED COMPOSITIONS, LOW FOAMING AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-10-03 US disclosed