SCHEMBL11330981

SCHEMBL11330981

CN(Cc1ccccc1)C1CC(Cl)CCCC1N(C(=O)CCCl)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC18A3 Q16572 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ PAX8 Q06710 2/20 0.42
▸ MITF O75030 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ CHRM2 P08172 3/20 0.39
▸ CHRM3 P20309 3/20 0.39
▸ OPRM1 P35372 5/20 0.37
▸ SIGMAR1 Q99720 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ OPRD1 P41143 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ NCOA1 Q15788 1/20 0.36

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
SCHEMBL11569471 0.92 SLC18A3 (0.41) SLC18A3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11332124 0.90 SLC18A3 (0.47) SLC18A3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11330678 0.88 ALDH1A1 (0.43) SLC18A3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11341207 0.88 ALDH1A1 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11336631 0.88 ALDH1A1 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11332173 0.88 ALDH1A1 (0.46) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL11573548 0.87 ALDH1A1 (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11346058 0.86 MEN1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11569473 0.86 SLC18A3 (0.46) SLC18A3ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11346469 0.85 MEN1 (0.40) SLC18A3ALDH1A1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE30837-E ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-12-29 — — US claimed
US-4169156-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-09-25 — — US claimed
US-RE30837-E ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-12-29 — — US disclosed
US-4169156-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1979-09-25 — — US disclosed
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