SCHEMBL5597422

SCHEMBL5597422

O=Cc1ccc(CCCCc2ncc[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.49
TAAR1 Q96RJ0 6/20 0.44
TERT O14746 1/20 0.41
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HTR1A P08908 1/20 0.36
CXCR4 P61073 1/20 0.34
NAMPT P43490 2/20 0.34
ALOX15 P16050 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
FDPS P14324 1/20 0.33
GLA P06280 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL7299851 0.83 TAAR1 (0.62) TAAR1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL4642035 0.79 TBXAS1 (0.53) TBXAS1TAAR1TERTLMNASMN1; SMN2
SCHEMBL6017533 0.79 TBXAS1 (0.53) TBXAS1TAAR1TERTALDH1A1LMNA
SCHEMBL15121693 0.78 TAAR1 (0.65) TBXAS1TAAR1TERTLMNASMN1; SMN2
SCHEMBL8200191 0.78 TBXAS1 (0.51) TBXAS1TAAR1TERTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3647287 0.78 TBXAS1 (0.50) TBXAS1TAAR1TERTLMNASMN1; SMN2
SCHEMBL3431746 0.77 TBXAS1 (0.66) TBXAS1TAAR1TERTALDH1A1SMN1; SMN2
SCHEMBL2127047 0.77 CYP2D6 (0.46) TAAR1LMNASMN1; SMN2HTR1ACXCR4
SCHEMBL2942858 0.77 TAAR1 (0.62) TBXAS1TAAR1TERTLMNASMN1; SMN2
SCHEMBL4777900 0.76 CXCR4 (0.45) TBXAS1TAAR1LMNASMN1; SMN2CXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804819-A4 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS UNIV WAYNE STATE (US) 2007-12-12 EP disclosed
EP-1804819-A2 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS WAYNE STATE UNIVERSITY (US) 2007-07-11 EP disclosed
WO-2006041939-A2 USE OF AROMATASE INHIBITORS FOR ENDOMETRIAL THINNING IN PREPARATION FOR SURGICAL PROCEDURES ON THE ENDOMETRIAL CAVITY AND UTERUS WAYNE STATE UNIVERSITY (US) 2006-04-20 WO disclosed
EP-1492515-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2005-01-05 EP disclosed
WO-2003082254-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AROMATASE INHIBITOR AND AN ESTROGEN SUITABLE FOR HORMONE REPLACEMENT THERAPY FOR A MALE JENCAP RESEARCH LTD. (CA) 2003-10-09 WO disclosed