SCHEMBL1127150

SCHEMBL1127150

Cc1ccnc(N2CCNCC2)c1C

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.53
ADRB1 P08588 1/20 0.50
EPHX2 P34913 1/20 0.47
HTR6 P50406 1/20 0.46

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
SCHEMBL16409557 0.94 HTR2C (0.48) HTR2CADRB1
SCHEMBL26845639 0.83 KDM4E (0.49)
SCHEMBL31651944 0.80 HTR2C (0.48) HTR2C
SCHEMBL3128868 0.80 NOS3 (0.39) HTR2C
SCHEMBL615931 0.79 EPHX2 (0.59) HTR2CADRB1EPHX2
Hydrochloric Acid SCHEMBL23124285 0.77 EPHX2 (0.58) HTR2CADRB1EPHX2
Hydrochloric Acid SCHEMBL10317373 0.77 EPHX2 (0.58) HTR2CADRB1EPHX2
Hydrochloric Acid SCHEMBL20339507 0.77 EPHX2 (0.58) HTR2CADRB1EPHX2
SCHEMBL6276159 0.77 ADRB1 (0.48) HTR2CADRB1HTR6
SCHEMBL13116668 0.76 HTR2C (0.56) HTR2CEPHX2

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-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 WO disclosed