SCHEMBL8828510

SCHEMBL8828510

CCCNN1CCN(c2ccccc2OC)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.62
DRD3 P35462 6/20 0.59
HTR1A P08908 1/20 0.58
CYP2C19 P33261 2/20 0.53
HTR3E A5X5Y0 1/20 0.53
HTR3B O95264 1/20 0.53
ADRB1 P08588 1/20 0.53
HTR3A P46098 1/20 0.53
HTR6 P50406 1/20 0.53
HTR3D Q70Z44 1/20 0.53
HTR3C Q8WXA8 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
DRD4 P21917 1/20 0.52
HRH2 P25021 1/20 0.52
HRH1 P35367 1/20 0.52
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP1A2 P05177 1/20 0.51

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
SCHEMBL28272519 0.92 DRD2 (0.64) DRD2DRD3HTR1ACYP2C19HTR3E
SCHEMBL8957716 0.88 DRD2 (0.61) DRD2DRD3HTR1ACYP2C19HTR3E
SCHEMBL8828472 0.87 ALDH1A1 (0.58) DRD2DRD3DRD4MAPTALDH1A1
SCHEMBL8828600 0.85 ADRA1A (0.54) HTR1AADRA1DADRA1AADRA1B
SCHEMBL8828418 0.83 DRD2 (0.47) DRD2DRD3HTR1ADRD4HRH2
SCHEMBL8828782 0.83 DRD2 (0.44) DRD2DRD3HTR1ADRD4MAPT
SCHEMBL8828530 0.83 DRD2 (0.44) DRD2DRD3HTR1ADRD4ALDH1A1
SCHEMBL8828496 0.83 DRD2 (0.44) DRD2DRD3HTR1AHTR6ALDH1A1
SCHEMBL8828612 0.82 GAA (0.45) DRD2DRD3HTR1ADRD4MAPT
SCHEMBL8828459 0.82 DRD2 (0.42) DRD2DRD3HTR1ADRD4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 US disclosed
US-5503843-A PATCH HAVING EITHER A LIQUID RESERVOIR OR MONOLITHIC MATRIX CONTAINING A PERMEATION ENHANCER AND 2-PHENYL-3-METHYL-8-(1-(4-(METHOXYPHENYL)PIPERAZIN-1-YL)PROPYLAMINO-4 -CARBONYL-4H-CHROMEN-4-ONE; BENIGN PROSTRATE HYPERPLASIA FLORA INC. (US) 1996-04-02 US disclosed
EP-0343961-B1 Aryl- and heteroaryl piperazinyl carboxamides having central nervous system activity AMERICAN HOME PROD (US) 1996-01-10 EP disclosed
US-5482940-A OBESITY, ALCOHOLISM AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-09 US disclosed
US-5380725-A Antipsychotic agents and anxiolytic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1995-01-10 US disclosed
US-5278160-A Treating aggressive behavior AMERICAN HOME PRODUCTS CORPORATION (US) 1994-01-11 US disclosed
US-5254552-A Cognition activators, psychological disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-19 US disclosed
US-5106849-A Treating anxiety, depression, psychoses AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-21 US disclosed
US-5010078-A Anxiolytic, antidepressant agents AMERICAN HOME PRODUCTS CORPORATION (US) 1991-04-23 US disclosed
EP-0343961-A2 Aryl- and heteroaryl piperazinyl carboxamides having central nervous system activity AMERICAN HOME PRODUCTS CORPORATION (US) 1989-11-29 EP disclosed