SCHEMBL2226077

SCHEMBL2226077

c1ccc2c(c1)CN(N1CCNCC1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.46
▸ ADRB1 P08588 3/20 0.45
▸ SIGMAR1 Q99720 3/20 0.45
▸ HTR3E A5X5Y0 1/20 0.45
▸ HTR3B O95264 1/20 0.45
▸ HTR3A P46098 1/20 0.45
▸ HTR3D Q70Z44 1/20 0.45
▸ HTR3C Q8WXA8 1/20 0.45
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HTR2A P28223 2/20 0.41
▸ MAOA P21397 2/20 0.40
▸ MAOB P27338 2/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ DPP7 Q9UHL4 1/20 0.40
▸ PLD1 Q13393 1/20 0.38
▸ CETP P11597 1/20 0.38
▸ HTR1A P08908 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ HTR5A P47898 1/20 0.37

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
SCHEMBL28932616 0.76 MAOA (0.43) SIGMAR1MAOAMAOB
SCHEMBL29098437 0.73 SIGMAR1 (0.50) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL4895341 0.71 HTR2C (0.37) HTR2CADRB1SIGMAR1HTR3EHTR3B
SCHEMBL2356063 0.71 HIF1A (0.42) ADRB1SIGMAR1HTR3EHTR3BHTR3A
SCHEMBL2352069 0.70 KMT2A (0.65) HTR2CMEN1KMT2AHTR2AHTR1A
SCHEMBL3196430 0.70 HTR2C (0.45) HTR2CADRB1SIGMAR1HTR3EHTR3B
SCHEMBL11560636 0.70 ADRB1 (0.76) HTR2CADRB1SIGMAR1HTR3EHTR3B
Piperazine SCHEMBL27720401 0.69 HTR2C (0.60) HTR2CHTR2AMAOAMAOB
SCHEMBL7884784 0.68 CHRNA7 (0.50) KMT2AMAOAMAOB
SCHEMBL7052608 0.68 HIF1A (0.50) ADRB1SIGMAR1HTR3EHTR3BHTR3A

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-2523664-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 — — EP disclosed
WO-2011088192-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 — — WO disclosed
Send feedback