SCHEMBL7718486

SCHEMBL7718486

O=c1c2c3c(sc2ncn1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)CN(C1CC1)CC3

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.58
ADRA1D P25100 18/20 0.58
HTR1B P28222 18/20 0.58
ADRA1A P35348 18/20 0.58
ADRA1B P35368 18/20 0.58
DRD2 P14416 2/20 0.51
DRD3 P35462 2/20 0.51
DRD5 P21918 1/20 0.51
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR7 P34969 1/20 0.49

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
SCHEMBL3458036 0.89 HTR1A (0.73) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL6834969 0.88 HTR1A (0.72) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7720143 0.88 HTR1A (0.62) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7532906 0.86 HTR1A (0.58) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7722203 0.86 HTR1A (0.60) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7676522 0.86 HTR1A (0.63) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7722096 0.85 HTR1A (0.60) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7722154 0.85 HTR1A (0.68) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7719376 0.85 HTR1A (0.60) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7722319 0.85 HTR1A (0.58) HTR1AADRA1DHTR1BADRA1AADRA1B

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
US-6387912-B1 STROKE THERAPY BASF AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed