SCHEMBL7860320

SCHEMBL7860320

CN(CCc1c[nH]c2ccc(NC(=O)c3ccc(F)cc3)cc12)C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 3/20 0.50
CDK4 P11802 3/20 0.50
CCND1 P24385 3/20 0.50
HTR1D P28221 12/20 0.47
HTR1B P28222 9/20 0.47
HTR1A P08908 1/20 0.47
MAPT P10636 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
MPO P05164 1/20 0.45
CHRM2 P08172 1/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL7866630 0.78 MPO (0.64) HTR1FCDK4CCND1HTR1DHTR1B
SCHEMBL7860323 0.78 MMP2 (0.49) HTR1FHTR1DHTR1BHTR1ACHRM2
SCHEMBL1998690 0.77 HPGD (0.54) HTR1FCDK4CCND1HTR1DHTR1B
Hydrochloric Acid SCHEMBL8194413 0.76 HTR1F (0.47) HTR1FCDK4CCND1HTR1DHTR1B
SCHEMBL7867834 0.74 NQO2 (0.56) HTR1DHTR1BHTR1AMAPT
SCHEMBL7866613 0.73 HTR1D (0.47) HTR1FHTR1DHTR1BHTR1AMAPT
SCHEMBL4397592 0.72 IDO1 (0.51) CDK4CCND1MPO
SCHEMBL10580738 0.71 MTNR1A (0.46) CDK4CCND1HTR1DHTR1BHTR1A
SCHEMBL9256341 0.70 MPO (0.53) HTR1DMAPTMPO
SCHEMBL4391535 0.70 CDK4 (0.51) CDK4CCND1

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-1083918-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE 5-HT RECEPTORS Advanced Medicine, Inc. (US) 2001-03-21 EP disclosed
WO-1999064044-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE 5-HT RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed