SCHEMBL2640211

SCHEMBL2640211

COc1ccccc1N1CCN(CCN(C(=O)c2ccc(I)cc2)c2ccccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 1.00
TSHR P16473 1/20 1.00
CYP2C19 P33261 1/20 1.00
MTOR P42345 1/20 1.00
RAB9A P51151 1/20 1.00
HIF1A Q16665 1/20 1.00
HTR1A P08908 3/20 0.85
ADRA1A P35348 3/20 0.85
CYP3A4 P08684 1/20 0.85
MEN1 O00255 1/20 0.83
ALDH1A1 P00352 1/20 0.83
BLM P54132 1/20 0.83
PMP22 Q01453 1/20 0.83
KMT2A Q03164 1/20 0.83
DRD4 P21917 1/20 0.78

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
SCHEMBL29387395 1.00 CYP2D6 (1.00) CYP2D6TSHRCYP2C19MTORRAB9A
Hydrochloric Acid SCHEMBL7041045 0.99 CYP2D6 (0.98) CYP2D6TSHRCYP2C19MTORRAB9A
SCHEMBL8011055 0.93 CYP2D6 (0.88) CYP2D6TSHRCYP2C19MTORRAB9A
SCHEMBL29786717 0.92 ADRA1A (1.00) CYP2D6TSHRCYP2C19MTORRAB9A
SCHEMBL19568202 0.92 CYP2D6 (0.86) CYP2D6TSHRCYP2C19MTORRAB9A
SCHEMBL4014204 0.92 ADRA1A (1.00) CYP2D6TSHRCYP2C19MTORRAB9A
SCHEMBL18211393 0.92 HTR1A (0.86) CYP2D6TSHRCYP2C19MTORRAB9A
SCHEMBL898147 0.88 CYP2D6 (0.79) CYP2D6TSHRCYP2C19MTORRAB9A
Hydrochloric Acid SCHEMBL7041048 0.85 CYP2D6 (0.73) CYP2D6TSHRCYP2C19MTORRAB9A
SCHEMBL84137 0.83 HTR1A (0.72) CYP2D6TSHRCYP2C19MTORRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011140608-A1 NEUROPSYCHOPHARMACOLOGICAL TREATMENT REGIMES FOR TREATING PSYCHOLOGICAL DISORDERS KEATING CHARLOTTE L (AU) 2011-11-17 WO disclosed
WO-2011140607-A1 A METHOD OF TREATMENT AND DIAGNOSIS KEATING CHARLOTTE L (AU) 2011-11-17 WO disclosed
US-20060258667-A1 Method for improving respiratory function and inhibiting muscular degeneration NIH-DEITR 2006-11-16 US disclosed
US-7071194-B2 Method for improving respiratory function and inhibiting muscular degeneration THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2006-07-04 US disclosed
US-20030139422-A1 Method for improving respiratory function and inhibiting muscular degeneration THE CHILDREN'S MEDICAL CENTER CORPORATION 2003-07-24 US disclosed
WO-2001068073-A2 METHOD FOR IMPROVING RESPIRATORY FUNCTION AND INHIBITING MUSCULAR DEGENERATION CHILDREN'S MEDICAL CENTER CORPORATION, THE (US) 2001-09-20 WO disclosed