SCHEMBL7338585

SCHEMBL7338585

CC(C)CC(N)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NC1CCN(Cc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 14/20 0.57
CHRM2 P08172 4/20 0.55
CHRM3 P20309 4/20 0.55
CHRM1 P11229 3/20 0.55
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL7345278 1.00 UTS2R (0.57) UTS2RCHRM2CHRM3CHRM1LMNA
SCHEMBL7342587 0.90 YAP1 (0.51) UTS2RCHRM2CHRM3CHRM1LMNA
SCHEMBL7337924 0.88 YAP1 (0.56)
SCHEMBL7337109 0.88 YAP1 (0.49) UTS2RCHRM2CHRM3CHRM1LMNA
SCHEMBL7339667 0.87 YAP1 (0.52) LMNAGAARAB9ASMN1; SMN2
SCHEMBL7342359 0.86 YAP1 (0.55)
SCHEMBL7408660 0.86 UTS2R (0.59) UTS2RCHRM2CHRM3CHRM1LMNA
SCHEMBL8192828 0.86 UTS2R (0.55) UTS2RCHRM2CHRM3CHRM1
SCHEMBL8194336 0.86 CACNA1B (0.54) UTS2RCHRM2CHRM3CHRM1
SCHEMBL7371945 0.85 RAB9A (0.55) UTS2RLMNAGAARAB9ASMN1; SMN2

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
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US claimed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed