SCHEMBL7490225

SCHEMBL7490225

O=C1C2CC2C(=O)N1CCC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
HPGD P15428 1/20 0.39
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
MAPT P10636 1/20 0.34
NAAA Q02083 1/20 0.34

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
SCHEMBL24218089 0.81 L3MBTL1 (0.41) ACHEHPGDATMALDH1A1L3MBTL1
SCHEMBL24218198 0.74 MGLL (0.46) ACHEHPGDALDH1A1LMNATSHR
SCHEMBL4245809 0.73 ACHE (0.71) ACHEHPGDALDH1A1
SCHEMBL17532412 0.72 ALDH1A1 (0.53) ATMALDH1A1L3MBTL1HTT
SCHEMBL3265836 0.70 CYP19A1 (0.40) ALDH1A1BACE1
SCHEMBL13291893 0.70 ACHE (0.43) ACHEALDH1A1BACE1
SCHEMBL16039625 0.69 USP2 (0.44) HPGDALDH1A1L3MBTL1LMNATSHR
SCHEMBL17532416 0.69 ALDH1A1 (0.50) HPGDATMALDH1A1LMNAHTT
SCHEMBL22434238 0.68 MGLL (0.48) ACHEHPGDALDH1A1LMNAHTT
SCHEMBL17532450 0.68 ALDH1A1 (0.46) ALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929522-B1 INSECT-REPELLENT FORMULATIONS PFIZER LTD (GB) 2002-12-18 EP disclosed
US-6130241-A Insect-repellent formulations PFIZER INC. (US) 2000-10-10 US disclosed