SCHEMBL9009161

SCHEMBL9009161

CC(C)(C)OC(=O)NCCn1ccc2cc(C#N)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 6/20 0.47
▸ MTNR1B P49286 6/20 0.47
▸ MAPK1 P28482 3/20 0.43
▸ HTT P42858 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL2951656 0.85 DRD2 (0.40) MTNR1AMTNR1BHTTHSD17B10DRD2
SCHEMBL24414605 0.85 KDM4E (0.47) MTNR1AMTNR1BHTTHSD17B10ALDH1A1
SCHEMBL3414185 0.85 MTNR1A (0.46) MTNR1AMTNR1BMAPK1HTTHSD17B10
SCHEMBL18935522 0.84 MTNR1A (0.51) MTNR1AMTNR1BMAPK1HTTHSD17B10
SCHEMBL3417837 0.83 MTNR1A (0.50) MTNR1AMTNR1BMAPK1HTTHSD17B10
SCHEMBL13262984 0.82 IRAK4 (0.46) MTNR1A
SCHEMBL18917701 0.81 MTNR1A (0.48) MTNR1AMTNR1BMAPK1HTTHSD17B10
SCHEMBL1435781 0.81 NPY5R (0.42) HTTHSD17B10DRD2RORCALDH1A1
SCHEMBL1435785 0.81 NPY5R (0.42) HTTHSD17B10DRD2RORCALDH1A1
SCHEMBL27844158 0.80 NPY5R (0.45) HTTHSD17B10RORCALDH1A1NPY5R

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-5510359-A VASOCONSTRUCTION MERCK SHARP & DOHME LTD. (GB) 1996-04-23 — — US disclosed
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