SCHEMBL7796778

SCHEMBL7796778

COc1ccccc1N1CCN(C[C@@H](Cc2cn(C)c3ccccc23)N(C(=O)C2CCCCC2)C(=O)C2CCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ADRA1A P35348 5/20 0.52
ADRA1D P25100 5/20 0.52
DRD4 P21917 3/20 0.52
ADRA1B P35368 3/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
TSHR P16473 1/20 0.52
HTR1B P28222 1/20 0.52
HTR7 P34969 1/20 0.52
HTR2B P41595 1/20 0.51
LMNA P02545 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
ALDH1A1 P00352 2/20 0.46

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
Hydrochloric Acid SCHEMBL7536565 0.98 HTR1A (0.52) HTR1AMEN1KMT2AADRA1AADRA1D
Hydrochloric Acid SCHEMBL7975411 0.95 ADRA1D (0.49) HTR1AMEN1KMT2AADRA1AADRA1D
Hydrochloric Acid SCHEMBL7534854 0.81 HTR1A (0.56) HTR1AMEN1KMT2AADRA1AADRA1D
SCHEMBL7786744 0.77 HTR7 (0.52) HTR1AMEN1KMT2AADRA1AADRA1D
Fumaric Acid SCHEMBL7989873 0.75 HTR1A (0.67) HTR1AMEN1KMT2AADRA1AADRA1D
SCHEMBL7758406 0.75 HTR1A (0.59) HTR1AMEN1KMT2AADRA1AADRA1D
Hydrochloric Acid SCHEMBL7536688 0.72 HTR1A (0.72) HTR1AMEN1KMT2AADRA1AADRA1D
SCHEMBL6933223 0.70 HTR1A (0.75) HTR1AMEN1KMT2AADRA1AADRA1D
SCHEMBL6933222 0.70 HTR1A (0.78) HTR1AMEN1KMT2AADRA1AADRA1D
SCHEMBL7698385 0.70 HTR1A (0.59) HTR1AMEN1KMT2AADRA1AADRA1D

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-1157017-A1 N-SUBSTITUTED IMIDE DERIVATIVES WITH SEROTONERGIC ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-28 EP disclosed
WO-2000052002-A1 N-SUBSTITUTED IMIDE DERIVATIVES WITH SEROTONERGIC ACTIVITY AMERICAN HOME PRODUCTS CORPORATION (US) 2000-09-08 WO disclosed