SCHEMBL8185072

SCHEMBL8185072

Cc1ccc2cccc(C3CCN(C)CC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
SLC6A4 P31645 1/20 0.50
CYP1A2 P05177 2/20 0.46
CYP2A6 P11509 1/20 0.46
HRH3 Q9Y5N1 1/20 0.41
HTR6 P50406 3/20 0.40
HTR2A P28223 3/20 0.40
HTR2B P41595 1/20 0.40
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
THPO P40225 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1F P30939 1/20 0.39
HTR2C P28335 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38

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
SCHEMBL7816263 0.84 CYP1A2 (0.57) DRD2SLC6A4CYP1A2HRH3CYP3A4
SCHEMBL6307121 0.84 HTR1D (0.57) DRD2SLC6A4CYP1A2HRH3HTR6
SCHEMBL7256238 0.82 DRD2 (0.69) DRD2SLC6A4HRH3HTR6HTR2A
Ammonia Solution, Strong SCHEMBL27937832 0.81 CYP2A6 (0.49) DRD2SLC6A4CYP1A2CYP2A6HRH3
SCHEMBL9325324 0.81 MTNR1A (0.56) DRD2SLC6A4HTR1DHTR1BHTR1A
Bromide SCHEMBL9325759 0.81 DRD2 (0.68) DRD2SLC6A4HRH3HTR6HTR2A
Hydrochloric Acid SCHEMBL7260916 0.81 DRD2 (0.68) DRD2SLC6A4HRH3HTR6HTR2A
SCHEMBL6313386 0.77 MTNR1A (0.46) DRD2SLC6A4HTR6
SCHEMBL8192016 0.77 DRD2 (0.56) DRD2SLC6A4CYP1A2HTR6HTR2A
SCHEMBL17642598 0.77 QDPR (0.42) DRD2SLC6A4CYP1A2HTR2AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1064350-C Aryl and heteroaryl alkoxynaphtalene derivatives PFIZER (US) 2001-04-11 CN disclosed
US-6166020-A Aryl and heteroaryl alkoxynaphthalene derivatives PFIZER INC. (US) 2000-12-26 US disclosed
US-5821245-A Use of naphthalene derivatives in treating lung carcinoma PFIZER INC. (US) 1998-10-13 US disclosed
EP-0795328-A1 Use of naphthalene derivatives in treating lung carcinoma PFIZER INC. (US) 1997-09-17 EP disclosed
CN-1151729-A Aryl and heteroaryl alkoxynaphtalene derivatives PFIZER (US) 1997-06-11 CN disclosed
EP-0767782-A1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER INC. (US) 1997-04-16 EP disclosed
WO-1996000720-A1 ARYL AND HETEROARYL ALKOXYNAPHTHALENE DERIVATIVES PFIZER INC. (US) 1996-01-11 WO disclosed