SCHEMBL9034972

SCHEMBL9034972

[CH2]CCNC(=O)CCCCC

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.63
DNM1 Q05193 2/20 0.59
CASP2 P42575 1/20 0.59
NAAA Q02083 1/20 0.55
HSP90AA1 P07900 1/20 0.52
EPHX2 P34913 3/20 0.51
SELP P16109 1/20 0.51
CNR1 P21554 3/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
TRPV1 Q8NER1 1/20 0.50

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
SCHEMBL8756338 0.98 FAAH (0.67) FAAHDNM1CASP2NAAAHSP90AA1
SCHEMBL430817 0.98 FAAH (0.67) FAAHDNM1CASP2NAAAHSP90AA1
SCHEMBL117794 0.98 FAAH (0.67) FAAHDNM1CASP2NAAAHSP90AA1
SCHEMBL15754583 0.98 FAAH (0.67) FAAHDNM1CASP2NAAAHSP90AA1
SCHEMBL713149 0.98 FAAH (0.67) FAAHDNM1CASP2NAAAHSP90AA1
SCHEMBL74736 0.98 FAAH (0.67) FAAHDNM1CASP2NAAAHSP90AA1
SCHEMBL5244402 0.98 FAAH (0.67) FAAHDNM1CASP2NAAAHSP90AA1
SCHEMBL9469998 0.98 FAAH (0.67) FAAHDNM1CASP2NAAAHSP90AA1
SCHEMBL15754680 0.98 FAAH (0.67) FAAHDNM1CASP2NAAAHSP90AA1
SCHEMBL15754645 0.98 FAAH (0.67) FAAHDNM1CASP2NAAAHSP90AA1

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
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed