SCHEMBL24672004

SCHEMBL24672004

CC(O)(C(=O)N[C@@H]1CCCN(Br)C1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
LMNA P02545 1/20 0.43
SSTR1 P30872 1/20 0.42
SSTR4 P31391 1/20 0.42
CHRM2 P08172 8/20 0.42
CHRM1 P11229 8/20 0.42
CHRM3 P20309 8/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ACSS2 Q9NR19 2/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 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
SCHEMBL17294687 0.83 CHRM2 (0.55) CHRM2CHRM1CHRM3
SCHEMBL17294689 0.83 CHRM2 (0.55) CHRM2CHRM1CHRM3
SCHEMBL17294683 0.76 CCR1 (0.58) CCR1SSTR1SSTR4CHRM2CHRM1
SCHEMBL17294626 0.76 CCR1 (0.58) CCR1SSTR1SSTR4CHRM2CHRM1
SCHEMBL17294692 0.76 CCR1 (0.58) CCR1SSTR1SSTR4CHRM2CHRM1
SCHEMBL17294645 0.75 CHRM2 (0.56) CCR1LMNASSTR1SSTR4CHRM2
SCHEMBL24671896 0.73 CCR1 (0.55) CCR1
SCHEMBL25464076 0.71 MAPT (0.46) CCR1LMNACHRM2CHRM1CHRM3
SCHEMBL17294700 0.70 CHRM2 (0.57) CCR1CHRM2CHRM1CHRM3
SCHEMBL17294698 0.70 CHRM2 (0.57) CCR1CHRM2CHRM1CHRM3

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
EP-3148518-B1 NOVEL COMPOUNDS AS ANTI-TUBERCULAR AGENTS SPHAERA PHARMA PRIVATE LTD (IN) 2022-11-30 EP disclosed