SCHEMBL24988939

SCHEMBL24988939

CCCCc1cc(NCC)c2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 3/20 0.43
CTSV O60911 2/20 0.40
CTSL P07711 2/20 0.40
NPY5R Q15761 6/20 0.39
PSMB5 P28074 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35

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
SCHEMBL25014431 0.94 NPY5R (0.41) MPLNPY5RTUBB4ATUBBTUBA3C
SCHEMBL24988648 0.91 NPY5R (0.43) MPLCTSVCTSLNPY5RPSMB5
SCHEMBL24989523 0.91 NPY5R (0.44) MPLCTSVCTSLNPY5RPSMB5
SCHEMBL24988858 0.90 NPY5R (0.47) MPLCTSVCTSLNPY5RPSMB5
SCHEMBL24988856 0.90 NPY5R (0.42) MPLCTSVCTSLNPY5RPSMB5
SCHEMBL24988645 0.88 NPY5R (0.41) MPLCTSVCTSLNPY5RPSMB5
SCHEMBL24989518 0.87 NPY5R (0.49) MPLCTSVCTSLNPY5RPSMB5
SCHEMBL24988857 0.85 MPL (0.41) MPLCTSVCTSLNPY5RPSMB5
SCHEMBL24990194 0.85 NPY5R (0.52) MPLCTSVCTSLNPY5RPSMB5
SCHEMBL24988910 0.84 MPL (0.41) MPLCTSVCTSLNPY5RPSMB5

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
WO-2023013994-A1 NOVEL INDOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 주식회사 미토이뮨테라퓨틱스 2023-02-09 WO disclosed