SCHEMBL9513586

SCHEMBL9513586

NC(CCCCN1C(=O)C2C3C=CC(C4CC34)C2C1=O)CSc1c[nH]c2ccc(Cl)cc12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ ATM Q13315 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.33

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
SCHEMBL9513807 0.93 MEN1 (0.38) MEN1KMT2ALMNATP53MAPT
SCHEMBL9513786 0.88 NPC1 (0.48) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9514704 0.87 NPC1 (0.47) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9516240 0.85 NPC1 (0.48) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9516852 0.84 MAPT (0.40) RAB9AMEN1KMT2ALMNATP53
SCHEMBL9514774 0.80 HTR1A (0.42) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL9515163 0.80 STAT3 (0.40) NPC1RAB9AMAPTTDP1ALDH1A1
SCHEMBL9514280 0.77 HTR1A (0.44) —
SCHEMBL9514297 0.73 HTR1A (0.39) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL9516233 0.71 ALDH1A1 (0.42) MEN1KMT2ALMNAMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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