SCHEMBL11082045

SCHEMBL11082045

O=C(CCCN1CCN(c2noc3ccccc23)CC1)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.66
DRD4 P21917 6/20 0.66
SIGMAR1 Q99720 5/20 0.66
HTR1A P08908 4/20 0.60
HTR2A P28223 4/20 0.60
HTR2C P28335 4/20 0.60
DRD3 P35462 4/20 0.60
HRH1 P35367 2/20 0.60
ADRA2C P18825 1/20 0.60
TMEM97 Q5BJF2 3/20 0.60
HTR7 P34969 2/20 0.60
LMNA P02545 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56

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 SCHEMBL11084263 0.99 DRD2 (0.64) DRD2DRD4SIGMAR1HTR1AHTR2A
SCHEMBL7749833 0.87 DRD2 (0.57) DRD2DRD4SIGMAR1HTR1AHTR2A
SCHEMBL7754509 0.87 DRD2 (0.54) DRD2DRD4SIGMAR1HTR1AHTR2A
SCHEMBL7754649 0.87 DRD2 (0.54) DRD2DRD4SIGMAR1HTR1AHTR2A
SCHEMBL7749851 0.87 DRD2 (0.57) DRD2DRD4SIGMAR1HTR1AHTR2A
Bromide SCHEMBL7754529 0.86 DRD2 (0.53) DRD2DRD4SIGMAR1HTR1AHTR2A
Hydrochloric Acid SCHEMBL7755991 0.86 TSHR (0.54) DRD2DRD4SIGMAR1HTR1AHTR2A
SCHEMBL27494766 0.86 DRD2 (0.53) DRD2DRD4SIGMAR1HTR1AHTR2A
SCHEMBL7755965 0.84 DRD2 (0.56) DRD2DRD4SIGMAR1HTR1AHTR2A
SCHEMBL7754568 0.84 SIGMAR1 (0.57) DRD2DRD4SIGMAR1HTR1AHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4452799-A NEUROLEPTIC AGENTS MEAD JOHNSON & COMPANY (US) 1984-06-05 US claimed
US-4452799-A NEUROLEPTIC AGENTS MEAD JOHNSON & COMPANY (US) 1984-06-05 US disclosed
US-4411901-A ANTIPSYCHOTICS MEAD JOHNSON & COMPANY (US) 1983-10-25 US disclosed