SCHEMBL8439737

SCHEMBL8439737

CCCCCCCCCCCCCCNC(=O)CCN1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.56
NAAA Q02083 1/20 0.53
GNAI3 P08754 4/20 0.51
GNAO1 P09471 4/20 0.51
GNAI1 P63096 4/20 0.51
PRCP P42785 1/20 0.47
EPHX1 P07099 3/20 0.47
FAAH O00519 3/20 0.46
KDM4E B2RXH2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
DNM1 Q05193 1/20 0.44
EPHX2 P34913 2/20 0.43
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL24412633 0.89 CASP2 (0.65) CASP2NAAAGNAI3GNAO1GNAI1
SCHEMBL24412952 0.89 CASP2 (0.65) CASP2NAAAGNAI3GNAO1GNAI1
SCHEMBL18784665 0.88 GNAI3 (0.58) CASP2NAAAGNAI3GNAO1GNAI1
SCHEMBL18784666 0.88 GNAI3 (0.58) CASP2NAAAGNAI3GNAO1GNAI1
SCHEMBL20124225 0.87 GNAI3 (0.49) CASP2NAAAGNAI3GNAO1GNAI1
SCHEMBL11981498 0.85 SMN1; SMN2 (0.50) CASP2GNAI3GNAO1GNAI1KDM4E
SCHEMBL24412716 0.85 CASP2 (0.59) CASP2NAAAGNAI3GNAO1GNAI1
SCHEMBL17817099 0.85 KDM4E (0.62) CASP2NAAAGNAI3GNAO1GNAI1
SCHEMBL3477552 0.85 CASP2 (0.59) CASP2NAAAGNAI3GNAO1GNAI1
SCHEMBL7862964 0.84 SIGMAR1 (0.61) CASP2NAAAGNAI3GNAO1GNAI1

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