SCHEMBL7214151

SCHEMBL7214151

CN1CCN(C[C@H](Cc2ccccc2)NC(=O)N(CCO)CCc2ccccc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.41
AVPR1A P37288 2/20 0.41
HSD17B10 Q99714 1/20 0.40
CHRM1 P11229 2/20 0.40
HTR1A P08908 2/20 0.40
IDO1 P14902 1/20 0.39
TACR1 P25103 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL6896883 0.90 SIGMAR1 (0.40) SIGMAR1HSD17B10TACR1MEN1KMT2A
SCHEMBL7676098 0.90 SIGMAR1 (0.40) SIGMAR1HSD17B10TACR1MEN1KMT2A
SCHEMBL7214805 0.87 TACR1 (0.38) SIGMAR1AVPR1AHSD17B10CHRM1HTR1A
SCHEMBL27560030 0.81 HSD17B10 (0.51) AVPR1AHSD17B10CHRM1MEN1KMT2A
SCHEMBL6895349 0.81 HSD17B10 (0.51) AVPR1AHSD17B10CHRM1MEN1KMT2A
SCHEMBL6897368 0.81 HSD17B10 (0.51) AVPR1AHSD17B10CHRM1MEN1KMT2A
SCHEMBL6732066 0.79 CYP3A4 (0.41) SIGMAR1MEN1KMT2A
SCHEMBL6897654 0.78 MC4R (0.37) SIGMAR1AVPR1ATACR1MEN1KMT2A
SCHEMBL6897620 0.78 SIGMAR1 (0.37) SIGMAR1HSD17B10TACR1MEN1KMT2A
SCHEMBL6897866 0.77 CYP3A4 (0.47) AVPR1AHSD17B10CHRM1MEN1KMT2A

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-6534499-B2 For therapy of autoimmune disease SANTEN PHARMACEUTICAL CO., LTD. (JP) 2003-03-18 US disclosed
EP-1172359-A1 N-SUBSTITUTED-N'-SUBSTITUTED UREA DERIVATIVE AND USE THEREOF AS TNF-$g(a) PRODUCTION INHIBITOR SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-01-16 EP disclosed