SCHEMBL7340887

SCHEMBL7340887

CN(CC1CC1)C(=O)CC1CCc2ccccc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.48
CYP19A1 P11511 2/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ACHE P22303 2/20 0.45
HTR1A P08908 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7345539 0.95 METAP1 (0.46) METAP1CYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7344655 0.94 METAP1 (0.45) METAP1CYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7313982 0.93 ACHE (0.47) METAP1CYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7337797 0.89 CYP19A1 (0.44) METAP1CYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7305377 0.88 METAP1 (0.59) METAP1CYP19A1ACHESIGMAR1
SCHEMBL7307617 0.88 ACHE (0.46) METAP1CYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7343747 0.84 NAMPT (0.42) METAP1CYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7337009 0.84 CYP19A1 (0.43) METAP1CYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7002193 0.82 METAP1 (0.48) METAP1CYP19A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6630621 0.80 METAP1 (0.51) METAP1CYP19A1ALDH1A1MAPTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0581677-B1 Cycloalkylalkylamines which are sigma-receptor ligands, process for preparing them and their application in therapy JOUVEINAL INST RECH (FR) 1997-01-08 EP disclosed
US-5326784-A Psychological and gastrointestinal disorders INSTITUT DE RECHERCHE JOUVEINAL (FR) 1994-07-05 US disclosed
EP-0581677-A1 Cycloalkylalkylamines which are sigma-receptor ligands, process for preparing them and their application in therapy INSTITUT DE RECHERCHE JOUVEINAL (I.R.J) (FR) 1994-02-02 EP disclosed