SCHEMBL11572452

SCHEMBL11572452

C=CCN(C)C1CC(OC)CC1N(C(=O)CCOC)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LTB4R2 Q9NPC1 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KCNA3 P22001 2/20 0.33
▸ DRD5 P21918 4/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ PAX8 Q06710 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ LSS P48449 2/20 0.31

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
SCHEMBL11346998 0.93 KDM4E (0.34) LTB4R2TSHRKCNA3DRD5SIGMAR1
SCHEMBL11569488 0.87 KDM4E (0.38) LTB4R2TSHRKCNA3DRD5SIGMAR1
SCHEMBL11454736 0.87 LTB4R2 (0.38) LTB4R2KDM4ERAB9AMEN1KMT2A
SCHEMBL11571012 0.86 LTB4R2 (0.41) LTB4R2TSHRSIGMAR1RAB9AMEN1
SCHEMBL11337129 0.84 MEN1 (0.40) LTB4R2TSHRSIGMAR1KDM4ERAB9A
SCHEMBL11330424 0.81 SLC18A3 (0.43) LTB4R2SIGMAR1KDM4ERAB9AMEN1
SCHEMBL11341302 0.80 ALDH1A1 (0.38) LTB4R2SIGMAR1KDM4ERAB9AMEN1
SCHEMBL11570686 0.78 ALDH1A1 (0.40) DRD5SIGMAR1KDM4ERAB9AMEN1
SCHEMBL11450445 0.77 TP53 (0.36) LTB4R2TSHRSIGMAR1SMN1; SMN2
SCHEMBL11456933 0.77 MEN1 (0.39) SIGMAR1KDM4ERAB9AMEN1KMT2A

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-4159340-A N-(2-Aminocyclopentyl)-N-acylanilides as CNS anti-depressants THE UPJOHN COMPANY (US) 1979-06-26 — — US disclosed
Send feedback