SCHEMBL7846898

SCHEMBL7846898

CC(C)(C)OC(=O)N(CCO)CCCc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.53
ALDH1A1 P00352 1/20 0.52
MC5R P33032 9/20 0.49
MC3R P41968 9/20 0.49
MC4R P32245 8/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPC1 O15118 1/20 0.48
NAMPT P43490 1/20 0.47
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47

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
SCHEMBL1844315 0.78 L3MBTL1 (0.46) SLC6A4CYP1A2CYP2D6
SCHEMBL28861683 0.77 SMN1; SMN2 (0.70) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL17518854 0.76 HTR1A (0.58) SLC6A4ALDH1A1CYP1A2CYP2C19CDK4
SCHEMBL5982135 0.75 POLB (0.47) MC5RMC3RMC4RNPC1NAMPT
SCHEMBL4858828 0.75 MEN1 (0.45) CYP1A2CYP3A4CYP2C19NPC1NAMPT
SCHEMBL5737020 0.74 MAPT (0.63) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL7846607 0.74 FAAH (0.58) SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4862452 0.74 POLB (0.47) MC5RMC3RMC4RNPC1NAMPT
SCHEMBL4855006 0.74 MEN1 (0.45) MC5RMC3RCYP1A2CYP3A4CYP2C19
SCHEMBL17516267 0.74 HTR1A (0.56) ALDH1A1CYP1A2CYP2C19CDK4CCND1

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-6291683-B1 AS ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORP 2001-09-18 US disclosed
EP-1070050-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 2001-01-24 EP disclosed
US-6121307-A SIDE EFFECT REDUCTION; ADMINISTERING TO TREAT DEPRESSION AMERICAN HOME PRODUCTS CORP. (US) 2000-09-19 US disclosed
WO-1999051575-A1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION (5-HT1A RECEPTOR ACTIVE AGENTS) AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed