SCHEMBL2554766

SCHEMBL2554766

O=C1c2c3ccccc3nn2CCN1CC1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
GRM2 Q14416 8/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
HTR6 P50406 2/20 0.42
KCNH2 Q12809 6/20 0.39
PARP1 P09874 1/20 0.38
PRKD3 O94806 1/20 0.36
PRKD1 Q15139 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
PIM1 P11309 1/20 0.36
HTR4 Q13639 1/20 0.36
CYP1A2 P05177 1/20 0.36
KHK P50053 1/20 0.36

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
Hydrochloric Acid SCHEMBL14633419 0.99 DRD2 (0.44) DRD2GRM2ITGB3ITGA2BHTR6
SCHEMBL2556796 0.80 TACR3 (0.46) GRM2
SCHEMBL2553797 0.80 CCR3 (0.47) KCNH2HTR4
SCHEMBL2555053 0.77 SSTR5 (0.42) DRD2HTR6
SCHEMBL2550969 0.75 ROCK1 (0.46)
SCHEMBL2557120 0.74 CCR3 (0.46) HTR4
SCHEMBL31539904 0.74 MEN1 (0.41)
SCHEMBL2554249 0.72 ACKR3 (0.45) HTR6
SCHEMBL2553563 0.71 KDM4E (0.45)
Hydrochloric Acid SCHEMBL14633797 0.71 KMT2A (0.44) GRM2

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-2556074-B1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT ACRAF (IT) 2015-01-21 EP disclosed
EP-2556074-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO - A.C.R.A.F. - S.p.A. (IT) 2013-02-13 EP disclosed
WO-2011124430-A1 TRICYCLIC INDAZOLE COMPOUND, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING IT AZIENDE CHIMICHE RIUNITE ANGELINI FRANCESCO A.C.R.A.F. S.P.A. (IT) 2011-10-13 WO disclosed