SCHEMBL28297053

SCHEMBL28297053

NCCCCc1ccc2c(c1)CCC2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
TPSAB1 Q15661 1/20 0.42
HRH1 P35367 2/20 0.40
RAD52 P43351 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KIF11 P52732 1/20 0.38
RXRB P28702 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
GRIN2B Q13224 1/20 0.37
MPO P05164 1/20 0.37

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
SCHEMBL7796025 0.96 HRH1 (0.44) MAOATPSAB1HRH1KIF11
SCHEMBL6348778 0.94 TPSAB1 (0.43) MAOATPSAB1RAD52KMT2ARXFP1
SCHEMBL30496717 0.86 TAAR1 (0.45) CA12CA1CA2CA7CA14
SCHEMBL17188629 0.86 CYP2D6 (0.42) MAOAKIF11ADRA2AGRIN2B
SCHEMBL5079011 0.86 TAAR1 (0.45) CA12CA1CA2CA7CA14
Hydrochloric Acid SCHEMBL20563976 0.85 TDP1 (0.47) RAD52KMT2ARXFP1CA12CA1
SCHEMBL17186185 0.84 TAAR1 (0.47) KIF11ADRA2AADRA2BADRA2C
SCHEMBL30496730 0.84 TAAR1 (0.47) KIF11ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL5157753 0.82 TDP1 (0.48) KMT2AKIF11ADRA2AADRA2BADRA2C
SCHEMBL7122292 0.81 S1PR1 (0.46) ADRA2AADRA2BADRA2C

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
CN-109843343-A Method and composition for wound healing 因贝德生物科学公司 2019-06-04 CN disclosed