SCHEMBL1009372

SCHEMBL1009372

Cc1ccc(-c2cccc3c2CCNC3CI)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PRCP P42785 2/20 0.32
GID4 Q8IVV7 1/20 0.32
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PKM P14618 1/20 0.32
CHRM2 P08172 4/20 0.31
CHRM4 P08173 3/20 0.31
CHRM5 P08912 3/20 0.31
CHRM1 P11229 3/20 0.31
CHRM3 P20309 3/20 0.31

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
SCHEMBL1487594 0.82 BRD4 (0.41) OPRK1BRD4CREBBPADRA1AADRA1B
SCHEMBL1010063 0.75 KDM6B (0.36) OPRK1ALDH1A1PRCPOPRM1SLC22A1
SCHEMBL4019842 0.69 ADRA2A (0.46) OPRK1ALDH1A1KDM4ESMN1; SMN2OPRM1
SCHEMBL1011331 0.69 DRD2 (0.40) PRCPGID4S1PR1S1PR3SLC22A1
SCHEMBL8027646 0.68 BRD4 (0.38) OPRK1BRD4CREBBPALDH1A1KDM4E
SCHEMBL1011390 0.66 BRD4 (0.41) OPRK1BRD4CREBBPADRA1AADRA1B
SCHEMBL4020702 0.64 PRCP (0.65) OPRK1ALDH1A1KDM4ESMN1; SMN2PRCP
SCHEMBL4020963 0.64 PRCP (0.65) OPRK1ALDH1A1KDM4ESMN1; SMN2PRCP
SCHEMBL33531851 0.62 GID4 (0.56) ALDH1A1KDM4EPRCPGID4SLC22A1
SCHEMBL1011582 0.61 HTR1A (0.44) BRD4GID4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054416-B1 SUBSTITUTED PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO KGAA (DE) 2011-01-05 EP disclosed