SCHEMBL4069242

SCHEMBL4069242

Clc1ccc(N2C[CH]CCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
AKR1C3 P42330 1/20 0.42
HTT P42858 1/20 0.42
CHIA Q9BZP6 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LTA4H P09960 2/20 0.40
DRD4 P21917 2/20 0.40

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
SCHEMBL4068045 0.88 HTR3E (0.50) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL4067417 0.80 MAPT (0.49) SMN1; SMN2ALDH1A1LMNAHPGDHTT
SCHEMBL4070572 0.80 ADRB1 (0.47) ADRB1SMN1; SMN2ALDH1A1LMNAAKR1C3
SCHEMBL1870787 0.79 LMNA (0.43) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL24103508 0.78 SIGMAR1 (0.64) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL1822749 0.78 HTR3E (0.64) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL4070180 0.78 HTR3E (0.53) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL708442 0.76 ALDH1A1 (0.63) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL708444 0.76 ALDH1A1 (0.63) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL4066583 0.76 CHKA (0.63) ALDH1A1MEN1KMT2A

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
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
CN-1538956-A Spiro compounds ������ҩ��ʽ���� 2004-10-20 CN disclosed