SCHEMBL14588774

SCHEMBL14588774

CC(C)CC(NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CCC(N)=O)NC(=O)CN)C(C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NCC(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.60
▸ OPRM1 P35372 2/20 0.59
▸ OPRD1 P41143 2/20 0.59
▸ OPRK1 P41145 1/20 0.59
▸ IL23R Q5VWK5 6/20 0.59
▸ NPY4R P50391 6/20 0.59
▸ NPY5R Q15761 5/20 0.59
▸ NPY1R P25929 4/20 0.59
▸ NPY2R P49146 2/20 0.59
▸ KEAP1 Q14145 1/20 0.57
▸ KISS1R Q969F8 1/20 0.55

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
SCHEMBL30880895 0.89 OPRM1 (0.60) TFPIOPRM1OPRD1OPRK1IL23R
SCHEMBL30116708 0.89 VIPR2 (0.60) TFPIIL23RKEAP1
SCHEMBL29496468 0.88 TFPI (0.55) TFPIOPRM1OPRD1OPRK1IL23R
SCHEMBL29770069 0.88 TFPI (0.63) TFPIOPRM1OPRD1OPRK1IL23R
SCHEMBL29834946 0.88 NPY4R (0.65) OPRM1OPRD1OPRK1NPY4RNPY5R
SCHEMBL29834938 0.88 NPY4R (0.65) OPRM1OPRD1OPRK1NPY4RNPY5R
SCHEMBL30385132 0.88 TFPI (0.63) TFPIOPRM1OPRD1OPRK1IL23R
SCHEMBL29867680 0.88 TFPI (0.72) TFPI
SCHEMBL30413575 0.86 IL23R (0.62) TFPIIL23R
SCHEMBL29463760 0.86 NPY4R (0.63) TFPIOPRM1OPRD1OPRK1IL23R

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-7183279-B2 Histogranin-like peptides and non-peptides, processes for their preparation and uses thereof UNIVERSITY OF OTTAWA (CA) 2007-02-27 — — US disclosed
US-7183279-B2 Histogranin-like peptides and non-peptides, processes for their preparation and uses thereof UNIVERSITY OF OTTAWA (CA) 2007-02-27 — — US disclosed
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