SCHEMBL9047694

SCHEMBL9047694

O=C1OCCN1C1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 3/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ FKBP1A P62942 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ CYP2C19 P33261 1/20 0.46
▸ CTRB1 P17538 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ TMEM97 Q5BJF2 2/20 0.45
▸ SIGMAR1 Q99720 2/20 0.45
▸ NAAA Q02083 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TSHR P16473 1/20 0.45

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
SCHEMBL5866399 0.81 SMN1; SMN2 (0.60) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL23163880 0.79 MEN1 (0.55) PREPMEN1KMT2ANPSR1SMN1; SMN2
SCHEMBL30722459 0.78 SIGMAR1 (0.51) PREPKMT2AFKBP1ASMN1; SMN2NPC1
SCHEMBL28914337 0.78 SMN1; SMN2 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL25756732 0.77 FKBP1A (0.56) PREPFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL5376822 0.77 SMN1; SMN2 (0.53) PREPFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL14646671 0.77 FKBP1A (0.56) PREPFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL5866437 0.76 SMN1; SMN2 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29889013 0.76 FKBP1A (0.55) PREPFKBP1ASMN1; SMN2NPC1RAB9A
SCHEMBL14999594 0.76 FKBP1A (0.55) PREPFKBP1ASMN1; SMN2NPC1RAB9A

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
EP-0714392-A1 HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS ZENECA LIMITED (GB) 1996-06-05 — — EP disclosed
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