SCHEMBL9633201

SCHEMBL9633201

CCCCCCCCCCCC(=O)NCCNC(C)CCO

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.54
FAAH O00519 7/20 0.53
DNM1 Q05193 2/20 0.53
SELP P16109 1/20 0.51
CNR1 P21554 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TRPV1 Q8NER1 1/20 0.50
MAPT P10636 1/20 0.50
ALOX12 P18054 1/20 0.50
BLM P54132 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CASP2 P42575 1/20 0.49
MAPK1 P28482 1/20 0.47

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
SCHEMBL10587622 0.91 FAAH (0.56) NAAAFAAHDNM1SELPCNR1
SCHEMBL9633433 0.83 FAAH (0.48) NAAAFAAHDNM1SELPCNR1
SCHEMBL18596712 0.82 FAAH (0.61) NAAAFAAHDNM1SELPCNR1
SCHEMBL9371834 0.82 FAAH (0.61) NAAAFAAHDNM1SELPCNR1
SCHEMBL9368530 0.82 FAAH (0.61) NAAAFAAHDNM1SELPCNR1
Ethylene Glycol SCHEMBL9622565 0.82 NAAA (0.71) NAAAFAAHDNM1SELPCNR1
SCHEMBL6399330 0.81 FAAH (0.59) NAAAFAAHDNM1SELPCNR1
SCHEMBL8640203 0.81 FAAH (0.59) NAAAFAAHDNM1SELPCNR1
SCHEMBL27985151 0.80 FAAH (0.57) NAAAFAAHDNM1CNR1MEN1
SCHEMBL25008200 0.80 FAAH (0.77) NAAAFAAHDNM1SELPCNR1

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
US-5162315-A Topical administration of diltiazem THERAPEUTIC PATCH RESEARCH N.V. 1992-11-10 US disclosed