SCHEMBL9514704

SCHEMBL9514704

NC(CCCCCN1C(=O)C2C3C=CC(C4CC34)C2C1=O)CSc1c[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ STAT3 P40763 1/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL9513786 0.99 NPC1 (0.48) NPC1RAB9AALDH1A1KMT2ASTAT3
SCHEMBL9516240 0.96 NPC1 (0.48) NPC1RAB9AALDH1A1KMT2ASTAT3
SCHEMBL9515163 0.92 STAT3 (0.40) NPC1RAB9AALDH1A1STAT3HTR1A
SCHEMBL9513586 0.87 NPC1 (0.37) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL9517210 0.82 MAPT (0.42) ALDH1A1STAT3HTR1A
SCHEMBL9513807 0.79 MEN1 (0.38) ALDH1A1KMT2AMEN1
SCHEMBL9517046 0.78 MAPT (0.54) NPC1RAB9AKMT2ASTAT3HTR1A
SCHEMBL9517236 0.76 HTR1A (0.43) ALDH1A1STAT3HTR1A
SCHEMBL9513686 0.75 SIGMAR1 (0.47) STAT3HTR1A
SCHEMBL9603353 0.75 HTR2A (0.48) NPC1RAB9AALDH1A1KMT2AHTR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0495826-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-07-29 — — EP claimed
WO-1991004973-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-04-18 — — WO claimed
US-5227488-A AZA SPIRO DECANE AND USE THEREOF IN TREATING CNS DISORDERS NOVO NORDISK A/S (DK) 1993-07-13 — — US disclosed
EP-0495826-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1992-07-29 — — EP disclosed
WO-1991004973-A1 INDOLE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-04-18 — — WO disclosed
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