SCHEMBL9047192

SCHEMBL9047192

COc1ccccc1[C]1[CH]CCN(Cc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTR7 P34969 5/20 0.46
POLB P06746 1/20 0.46
SIGMAR1 Q99720 2/20 0.46
DRD4 P21917 1/20 0.44
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL9045021 0.78 MEN1 (0.48) MEN1KMT2AHTR7POLBSIGMAR1
SCHEMBL9046152 0.77 SIGMAR1 (0.42) MEN1KMT2APOLBSIGMAR1DRD4
SCHEMBL11491907 0.73 PNMT (0.52) KMT2ASIGMAR1DRD4ALDH1A1NPSR1
SCHEMBL6829563 0.72 KMT2A (0.47) MEN1KMT2AHTR7POLBSIGMAR1
Hydrochloric Acid SCHEMBL11487665 0.72 PNMT (0.51) SIGMAR1DRD4ALDH1A1NPSR1
SCHEMBL2396688 0.70 HTR1A (0.57) MEN1KMT2A
Hydrochloric Acid SCHEMBL11491923 0.70 PNMT (0.52) KMT2ASIGMAR1DRD4
SCHEMBL2828437 0.69 C5AR1 (0.52) MEN1KMT2ASIGMAR1DRD4ACHE
SCHEMBL172809 0.68 C5AR1 (0.51) KMT2AHTR7SIGMAR1DRD4ALDH1A1
SCHEMBL2977789 0.68 MEN1 (0.64) MEN1KMT2APOLBSIGMAR1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372776-B1 Arylpiperidine derivatives PFIZER (US) 1996-09-25 EP disclosed
US-5294619-A N-(nitrogen-containing heterocyclylalkyl-phenyl-piperidines PFIZER INC. (US) 1994-03-15 US disclosed
US-5153206-A Neuroleptic agents for treating psychological disorders PFIZER INC. (US) 1992-10-06 US disclosed
WO-1990006303-A1 ARYLPIPERIDINE DERIVATIVES PFIZER INC. (US) 1990-06-14 WO disclosed
EP-0372776-A2 Arylpiperidine derivatives PFIZER INC. (US) 1990-06-13 EP disclosed