SCHEMBL21711065

SCHEMBL21711065

CC(C)N(C)CCN1CCNC1=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.46
KDR P35968 1/20 0.46
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 3/20 0.37
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL26099247 0.82 RET (0.47) RETKDRALDH1A1KMT2ARAB9A
SCHEMBL13450908 0.77 RET (0.43) RETKDRALDH1A1KMT2ARAB9A
SCHEMBL16708781 0.76 RET (0.43) RETKDRALDH1A1KMT2ARAB9A
SCHEMBL15321569 0.76 RET (0.63) RETKDRALDH1A1KMT2ARAB9A
SCHEMBL20646738 0.75 RET (0.51) RETKDRALDH1A1KMT2ARAB9A
SCHEMBL26097549 0.75 RET (0.48) RETKDRALDH1A1KMT2ARAB9A
SCHEMBL13236669 0.74 ALDH1A1 (0.50) RETKDRALDH1A1KMT2ARAB9A
SCHEMBL104008 0.74 SMN1; SMN2 (0.45) RETKDRALDH1A1KMT2ARAB9A
Hydrochloric Acid SCHEMBL8927766 0.74 RET (0.40) RETKDRALDH1A1KMT2ARAB9A
SCHEMBL11149720 0.72 PIK3CD (0.53) ALDH1A1KMT2AMEN1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11135544-B2 Acidic gas absorbent, acidic gas removal method and acidic gas removal apparatus KABUSHIKI KAISHA TOSHIBA (JP) 2021-10-05 US disclosed
US-20200047110-A1 ACIDIC GAS ABSORBENT, ACIDIC GAS REMOVAL METHOD AND ACIDIC GAS REMOVAL APPARATUS KABUSHIKI KAISHA TOSHIBA (JP) 2020-02-13 US disclosed