SCHEMBL11480892

SCHEMBL11480892

COc1ccc2c(c1)[C@@H](NCc1cccc3ccccc13)CC1(CCCCC1)O2

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ENPP2 Q13822 1/20 0.39
FAAH O00519 2/20 0.38
BACE1 P56817 2/20 0.36
CTSD P07339 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
EDNRA P25101 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
MCHR1 Q99705 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SMPD1 P17405 1/20 0.35

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
SCHEMBL11474805 1.00 IDO1 (0.41) IDO1KMT2AMEN1ENPP2FAAH
SCHEMBL11247074 1.00 IDO1 (0.41) IDO1KMT2AMEN1ENPP2FAAH
SCHEMBL11255560 0.94 KMT2A (0.42) IDO1KMT2AMEN1FAAHKDM4E
SCHEMBL11486578 0.94 KMT2A (0.42) IDO1KMT2AMEN1FAAHKDM4E
SCHEMBL11472122 0.94 KMT2A (0.42) IDO1KMT2AMEN1FAAHKDM4E
SCHEMBL11254332 0.87 SMPD1 (0.43) IDO1KMT2AMEN1FAAHKDM4E
SCHEMBL11483435 0.87 SMPD1 (0.43) IDO1KMT2AMEN1FAAHKDM4E
SCHEMBL11489363 0.87 SMPD1 (0.43) IDO1KMT2AMEN1FAAHKDM4E
SCHEMBL11482014 0.86 TRPV1 (0.40) IDO1KMT2AMEN1TRPV1
SCHEMBL11253871 0.86 TRPV1 (0.40) IDO1KMT2AMEN1TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4238501-A INSECTICIDES, MITICIDES, PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-09 US disclosed
US-4237162-A MITICIDES, LARVACIDES, INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed