SCHEMBL8309550

SCHEMBL8309550

CC(C)c1nnc(-c2cc3c(OCC(O)CN4CCC(c5ccc6c(c5)OCO6)CC4)cccc3o2)o1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CCR1 P32246 1/20 0.40
DRD4 P21917 5/20 0.39
DRD2 P14416 2/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.38
RAB9A P51151 1/20 0.38
SLC6A4 P31645 2/20 0.37

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
SCHEMBL14571577 1.00 HTR1A (0.41) HTR1AKMT2AMEN1CCR1DRD4
SCHEMBL14571583 1.00 HTR1A (0.41) HTR1AKMT2AMEN1CCR1DRD4
Hydrochloric Acid SCHEMBL5584294 0.99 HTR1A (0.41) HTR1AKMT2AMEN1CCR1DRD4
Hydrochloric Acid SCHEMBL5585058 0.99 HTR1A (0.41) HTR1AKMT2AMEN1CCR1DRD4
SCHEMBL14571540 0.91 CCR1 (0.44) HTR1AKMT2AMEN1CCR1DRD4
SCHEMBL6809839 0.91 MEN1 (0.42) HTR1AKMT2AMEN1CCR1DRD4
SCHEMBL14571581 0.90 HTR1A (0.46) HTR1ADRD4DRD2SLC6A4
Bromide SCHEMBL5585014 0.90 MEN1 (0.41) HTR1AKMT2AMEN1CCR1DRD4
SCHEMBL14571587 0.90 HTR1A (0.42) HTR1AKMT2AMEN1CCR1DRD4
SCHEMBL14571601 0.90 HTR1A (0.41) HTR1AKMT2AMEN1CCR1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004082686-A2 USE OF COMPOUNDS WITH COMBINED 5-HT1A AND SSRI ACTIVITIES TO TREAT SEXUAL DYSFUNCTION DYNOGEN PHARMACEUTICALS, INC. (US) 2004-09-30 WO disclosed