SCHEMBL9595138

SCHEMBL9595138

O=C1Nc2cc(Cl)ccc2N(C(=O)CCCCCCBr)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
CHRM2 P08172 8/20 0.42
RAB9A P51151 1/20 0.42
CHEK1 O14757 1/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC3 O15379 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
HDAC4 P56524 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
HDAC1 Q13547 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40

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
SCHEMBL9595120 1.00 DRD2 (0.46) DRD2CHRM2RAB9ACHEK1HDAC8
SCHEMBL9594444 0.99 DRD2 (0.45) DRD2CHRM2RAB9ACHEK1HDAC8
SCHEMBL9593989 0.88 CHRM2 (0.52) CHRM2RAB9AHDAC8CHRM4CHRM1
SCHEMBL9593883 0.87 CHRM2 (0.55) DRD2CHRM2CHRM4CHRM1CHRM3
SCHEMBL9594641 0.87 CHRM2 (0.55) DRD2CHRM2CHRM4CHRM1CHRM3
SCHEMBL9593547 0.86 CHRM2 (0.55) DRD2CHRM2CHRM4CHRM1CHRM3
SCHEMBL9827608 0.85 RAB9A (0.48) DRD2CHRM2RAB9ACHEK1CHRM4
SCHEMBL9593935 0.85 CHRM2 (0.54) DRD2CHRM2CHRM4CHRM1CHRM3
SCHEMBL9595164 0.85 CHRM2 (0.54) DRD2CHRM2CHRM1
Hydrochloric Acid SCHEMBL9596500 0.84 CHRM2 (0.54) DRD2CHRM2CHRM1

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
US-5264432-A Antiarrhythmia and anticholinergic agents ARZNEIMITTELWERK DRESDEN G.M.B.H (DD) 1993-11-23 US disclosed