SCHEMBL13345896

SCHEMBL13345896

O=Cc1cccc(N2CCNCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.62
HTR1A P08908 5/20 0.62
ADRB1 P08588 4/20 0.62
HTR3E A5X5Y0 4/20 0.62
HTR3B O95264 4/20 0.62
HTR3A P46098 4/20 0.62
HTR3D Q70Z44 4/20 0.62
HTR3C Q8WXA8 4/20 0.62
SIGMAR1 Q99720 4/20 0.62
HTR2C P28335 3/20 0.62
HTR6 P50406 3/20 0.62
THRB P10828 2/20 0.62
TP53 P04637 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
HTR2A P28223 1/20 0.62
SLC6A4 P31645 1/20 0.62
CYP2C19 P33261 1/20 0.62

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
SCHEMBL27906847 0.94 ADRB1 (0.55) HTR7HTR1AADRB1HTR3EHTR3B
Tert-Butyl Formate SCHEMBL28048661 0.87 ADRB1 (0.50) HTR7HTR1AADRB1HTR3EHTR3B
SCHEMBL1443579 0.84 TRIM24 (0.60) HTR7ALDH1A1MAPT
SCHEMBL29377692 0.84 TRIM24 (0.60) HTR7ALDH1A1MAPT
SCHEMBL13118679 0.83 HTR7 (0.57) HTR7HTR1AADRB1HTR3EHTR3B
SCHEMBL1418736 0.82 ALDH1A1 (0.61) HTR7HTTALDH1A1MAPT
SCHEMBL30770827 0.82 ALDH1A1 (0.61) HTR7HTTALDH1A1MAPT
SCHEMBL13118667 0.81 HTR1A (0.63) HTR7HTR1AADRB1HTR3EHTR3B
SCHEMBL31611878 0.80 HTR3E (0.63) HTR7HTR1AADRB1HTR3EHTR3B
SCHEMBL31247769 0.79 ALDH3A1 (0.55) HTR7CYP1A2CYP3A4CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed