SCHEMBL27959324

SCHEMBL27959324

CN1CCN(CC(=O)N(c2ccc(N)cc2)C2CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
OPRM1 P35372 9/20 0.43
OPRL1 P41146 1/20 0.43
OPRD1 P41143 8/20 0.42
OPRK1 P41145 5/20 0.42
SIGMAR1 Q99720 2/20 0.42
CHRM3 P20309 2/20 0.42
SLC22A1 O15245 1/20 0.42
NR1I2 O75469 1/20 0.42
ABCB1 P08183 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
MAOA P21397 1/20 0.42
DRD4 P21917 1/20 0.42
MAOB P27338 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
ADRA1B P35368 1/20 0.42

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
SCHEMBL27959322 0.83 CHRM2 (0.47) LMNASIGMAR1CHRM3KCNH2CHRM2
SCHEMBL7347657 0.82 LMNA (0.49) LMNAADRA2C
SCHEMBL436539 0.81 DRD4 (0.50) LMNAADRA2CDRD4
SCHEMBL3109359 0.79 OPRM1 (0.51) OPRM1OPRL1OPRD1OPRK1SIGMAR1
SCHEMBL7339537 0.77 CACNA2D1 (0.56) LMNACHRM3CHRM1DRD4
SCHEMBL20420608 0.77 KDM1A (0.47) OPRM1MAOAMAOB
SCHEMBL4490990 0.76 DRD4 (0.46) LMNASIGMAR1DRD4CA2
SCHEMBL7340694 0.74 MAPT (0.44) LMNA
SCHEMBL28073437 0.74 DRD4 (0.42) LMNADRD4
SCHEMBL7341892 0.74 LMNA (0.54) LMNASIGMAR1ADRA2CDRD4

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
CN-103848814-B The full ketone derivatives of substituted indole as tyrosine kinase inhibitor 山东亨利医药科技有限责任公司 2016-08-17 CN disclosed
CN-103848814-A Substituted indole ketone derivative as tyrosine kinase inhibitor KBP BIOSCIENCES CO LTD 2014-06-11 CN disclosed