SCHEMBL11278554

SCHEMBL11278554

COc1cc(N)c(Cl)cc1NC(=O)C1CC2CCC(C1)N2Cc1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.51
SIGMAR1 Q99720 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL11092428 0.93 DRD2 (0.52) DRD2
SCHEMBL11097949 0.92 DRD2 (0.51) DRD2
SCHEMBL11094870 0.91 DRD2 (0.51) DRD2
SCHEMBL11094874 0.91 DRD2 (0.61) DRD2
SCHEMBL11092436 0.88 MEN1 (0.51) DRD2SIGMAR1POLBMAPTMEN1
SCHEMBL11098498 0.86 SIGMAR1 (0.54) SIGMAR1MAPTMEN1KMT2A
SCHEMBL11094396 0.86 SIGMAR1 (0.46) SIGMAR1POLBMAPTMEN1KMT2A
SCHEMBL11133855 0.85 ALDH1A1 (0.46) SIGMAR1POLBMAPTMEN1KMT2A
SCHEMBL11093372 0.84 DRD2 (0.50) DRD2SIGMAR1MAPTMEN1KMT2A
SCHEMBL11097106 0.83 DRD2 (0.47) DRD2MEN1KMT2A

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
EP-0031219-A1 Aniline derivatives BEECHAM GROUP PLC (GB) 1981-07-01 EP claimed
US-4350691-A ANTIEMETICS BEECHAM GROUP LIMITED (GB) 1982-09-21 US disclosed