SCHEMBL7795190

SCHEMBL7795190

COc1ccc(C[C@H](CN)N2CCN(c3ccccc3OC)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
TSHR P16473 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
LMNA P02545 1/20 0.53
HTR1A P08908 4/20 0.50
ADRA1D P25100 3/20 0.50
ADRA1A P35348 3/20 0.50
ADRA1B P35368 3/20 0.50
DRD2 P14416 3/20 0.50
DRD3 P35462 2/20 0.50
KMT2A Q03164 2/20 0.50
DRD4 P21917 1/20 0.50
MEN1 O00255 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TP53 P04637 1/20 0.49
HTR7 P34969 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48

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 SCHEMBL7029028 0.90 POLB (0.55) POLBTSHRALDH1A1MAPTLMNA
SCHEMBL11818282 0.81 GAA (0.57) POLBTSHRALDH1A1MAPTLMNA
SCHEMBL7536579 0.79 HTR1A (0.56) POLBTSHRALDH1A1MAPTHTR1A
SCHEMBL6930570 0.78 POLB (0.64) POLBALDH1A1MAPTLMNAHTR1A
SCHEMBL6930821 0.76 MAPT (0.48) POLBALDH1A1MAPTLMNAHTR1A
SCHEMBL9991858 0.73 HTR1A (0.61) POLBTSHRALDH1A1MAPTLMNA
SCHEMBL11509122 0.73 GAA (0.61) POLBTSHRALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL9993325 0.72 HTR1A (0.60) POLBTSHRALDH1A1MAPTLMNA
SCHEMBL7671076 0.72 DRD2 (0.63) POLBALDH1A1MAPTLMNAHTR1A
Hydrochloric Acid SCHEMBL11817434 0.72 GAA (0.60) POLBTSHRALDH1A1MAPTLMNA

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