SCHEMBL29600183

SCHEMBL29600183

c1ccc2c(c1)CCN2CC1CCCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
USP2 O75604 1/20 0.58
CDK4 P11802 1/20 0.58
ALOX15 P16050 1/20 0.58
CCND1 P24385 1/20 0.58
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
PTK2B Q14289 1/20 0.47
ESR2 Q92731 1/20 0.47
OPRM1 P35372 2/20 0.47
OPRL1 P41146 2/20 0.47
OPRK1 P41145 1/20 0.47
SIGMAR1 Q99720 4/20 0.47
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CHRM2 P08172 1/20 0.45

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
SCHEMBL30928925 0.91 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL15785123 0.84 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL15908319 0.79 HTR2A (0.46) ALDH1A1MAPTLMNAOPRM1OPRL1
SCHEMBL1581750 0.79 MAPT (0.54) ALDH1A1MEN1KMT2AUSP2CDK4
SCHEMBL29366795 0.78 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AALOX15KDM4E
SCHEMBL15704262 0.78 HRH3 (0.49) ALDH1A1MEN1KMT2AKDM4EOPRM1
SCHEMBL15908317 0.77 HTR2A (0.47) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL1961099 0.77 SIGMAR1 (0.61) OPRM1OPRL1OPRK1SIGMAR1HRH3
SCHEMBL1868503 0.76 OPRL1 (0.60) OPRM1OPRL1OPRK1SIGMAR1CHRM3
Hydrochloric Acid SCHEMBL17940592 0.76 KMT2A (0.49) ALDH1A1MEN1KMT2AUSP2CDK4

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-109912488-B Method for synthesizing 3-alkyl indoline by alkylation of non-activated olefin under catalysis of copper 昆明学院 2022-05-10 CN disclosed