SCHEMBL9635266

SCHEMBL9635266

C1=CC(CC2CCNCC2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.44
GBA1 P04062 1/20 0.43
HTR2C P28335 6/20 0.39
SLC6A4 P31645 5/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 3/20 0.38
HTR1A P08908 2/20 0.38
KDM1A O60341 3/20 0.37
KDM1B Q8NB78 1/20 0.37
HTR3A P46098 1/20 0.36
KCNH2 Q12809 1/20 0.36
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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 SCHEMBL11229294 0.98 HTR6 (0.43) HTR6GBA1HTR2CSLC6A4SLC6A2
SCHEMBL11228466 0.87 HTR6 (0.42) HTR6GBA1HTR2CSLC6A4SLC6A2
Hydrochloric Acid SCHEMBL11235358 0.86 HTR6 (0.41) HTR6GBA1HTR2CSLC6A4SLC6A2
SCHEMBL11220649 0.84 SLC6A4 (0.41) HTR6GBA1HTR2CSLC6A4SLC6A2
Hydrochloric Acid SCHEMBL11227056 0.83 SLC6A4 (0.40) HTR6GBA1HTR2CSLC6A4SLC6A2
SCHEMBL28192895 0.83 HTR6 (0.46) HTR6SIGMAR1
SCHEMBL1453509 0.78 HTR6 (0.58) HTR6HTR2CSLC6A2SLC6A3KCNH2
SCHEMBL11232648 0.76 NAMPT (0.41) HTR6SLC6A4
SCHEMBL9859810 0.76 HTR6 (0.56) HTR6HTR2CSLC6A2SLC6A3KCNH2
SCHEMBL3443376 0.72 HTR6 (0.53) HTR6HTR2CSLC6A2SLC6A3KCNH2

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
US-5114949-A Treating disorders associated with 5HT uptake RHONE-POULENC SANTE (FR) 1992-05-19 US disclosed
US-4357337-A PIPERIDINYLALKYL DERIVATIVES PHARMINDUSTRIE (FR) 1982-11-02 US disclosed