SCHEMBL9652160

SCHEMBL9652160

CCCCCN(C)c1ccnc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.62
SYK P43405 1/20 0.41
S1PR2 O95136 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
HTR1A P08908 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
NCF1 P14598 1/20 0.39
ATG4B Q9Y4P1 1/20 0.38
UTS2R Q9UKP6 1/20 0.38
TRPV1 Q8NER1 5/20 0.38

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
SCHEMBL1695271 0.88 HRH3 (0.60) HRH3
SCHEMBL8907631 0.85 HRH3 (0.60) HRH3SYKLOXL2HTR1AADRA1D
SCHEMBL8912787 0.85 HRH3 (0.60) HRH3SYKLMNASMN1; SMN2LOXL2
SCHEMBL1695377 0.83 HRH3 (0.54) HRH3SYKLMNAADRA1D
SCHEMBL16596266 0.81 HRH3 (0.64) HRH3SYKLOXL2HTR1AADRA1D
SCHEMBL11751268 0.80 HRH3 (0.57) HRH3SYKLMNALOXL2HTR1A
SCHEMBL15453257 0.78 HRH3 (0.56) HRH3SYKSMN1; SMN2LOXL2HTR1A
SCHEMBL15453232 0.78 HRH3 (0.56) HRH3LOXL2HTR1AADRA1DADRA1A
SCHEMBL30240776 0.75 DNM1 (0.41)
SCHEMBL5241892 0.75 HRH3 (0.47) HRH3LOXL2HTR1AADRA1DADRA1A

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-5102892-A Antisecretory agent for gastrointestinal disorders BASF AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed