SCHEMBL8437643

SCHEMBL8437643

CCCCCCCCCCCC(=O)NCCCN1CCN(CCO)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.57
DNM1 Q05193 2/20 0.55
FAAH O00519 4/20 0.54
CASP2 P42575 1/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
OPRD1 P41143 1/20 0.50
SELP P16109 1/20 0.50
CNR1 P21554 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
USP2 O75604 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL8440020 1.00 NAAA (0.57) NAAADNM1FAAHCASP2TP53
SCHEMBL10723379 0.94 FAAH (0.60) NAAADNM1FAAHCASP2TP53
SCHEMBL5524009 0.94 FAAH (0.60) NAAADNM1FAAHCASP2TP53
SCHEMBL5531859 0.94 FAAH (0.60) NAAADNM1FAAHCASP2TP53
SCHEMBL5538333 0.94 FAAH (0.60) NAAADNM1FAAHCASP2TP53
SCHEMBL5533634 0.94 FAAH (0.60) NAAADNM1FAAHCASP2TP53
SCHEMBL10722577 0.92 TP53 (0.58) NAAADNM1FAAHCASP2TP53
SCHEMBL8437935 0.90 FAAH (0.55) NAAADNM1FAAHCASP2TP53
SCHEMBL5139456 0.86 EPHX2 (0.66) CNR1ALDH1A1HPGDTRPV1MEN1
SCHEMBL5139457 0.86 EPHX2 (0.66) CNR1ALDH1A1HPGDTRPV1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757560-B1 OPHTHALMIC COMPOSITIONS COMPRISING AMIDOAMINES ALCON LAB INC (US) 1999-12-22 EP disclosed
EP-0757560-A1 USE OF AMIDOAMINES IN OPHTHALMIC COMPOSITIONS ALCON LABORATORIES, INC. (US) 1997-02-12 EP disclosed
US-5573726-A DISINFECTING CONTACT LENSES ALCON LABORATORIES, INC. (US) 1996-11-12 US disclosed
WO-1996026747-A2 USE OF AMIDOAMINES IN OPHTHALMIC COMPOSITIONS ALCON LABORATORIES, INC. (US) 1996-09-06 WO disclosed