SCHEMBL3665154

SCHEMBL3665154

N[C@@H]1CNCC[C@@H]1c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 12/20 0.58
MAOB P27338 10/20 0.58
MAOA P21397 8/20 0.42
CYP2C19 P33261 4/20 0.41
CYP2B6 P20813 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
LMNA P02545 2/20 0.41
TAAR1 Q96RJ0 2/20 0.41
CYP3A4 P08684 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2A6 P11509 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL3197035 1.00 KDM1A (0.58) KDM1AMAOBMAOACYP2C19CYP2B6
SCHEMBL15054151 0.90 MAOB (0.52) KDM1AMAOBMAOACYP2C19CYP2B6
SCHEMBL3195755 0.87 KDM1A (0.58) KDM1AMAOBMAOACYP2C19CYP2B6
Acetic Acid SCHEMBL27904810 0.81 MAPT (0.49) KDM1AMAOBMAOACYP2C19CYP2B6
SCHEMBL16163349 0.79 KDM1A (0.55) KDM1ACYP1A2CYP2D6CYP2C9LMNA
SCHEMBL15054721 0.79 KDM1A (0.55) KDM1ACYP1A2CYP2D6CYP2C9LMNA
SCHEMBL15054722 0.79 KDM1A (0.55) KDM1ACYP1A2CYP2D6CYP2C9LMNA
SCHEMBL16163347 0.79 KDM1A (0.55) KDM1ACYP1A2CYP2D6CYP2C9LMNA
SCHEMBL15054723 0.79 KDM1A (0.55) KDM1ACYP1A2CYP2D6CYP2C9LMNA
SCHEMBL6629465 0.76 SLC6A2 (0.48) SLC6A2

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-2142505-A1 SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF Pfizer, Inc. (US) 2010-01-13 EP disclosed
WO-2008120093-A1 SULFONAMIDES AND PHARMACEUTICAL COMPOSITIONS THEREOF PFIZER INC. (US) 2008-10-09 WO disclosed