SCHEMBL9437641

SCHEMBL9437641

CN1CCCN(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)c2[c]n[nH]c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 3/20 0.42
CHRM1 P11229 3/20 0.40
REN P00797 10/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CTSB P07858 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
SCHEMBL9437621 0.96 HSD17B10 (0.39) AVPR1BCHRM1RENHSD17B10CTSB
SCHEMBL9437654 0.85 KMT2A (0.41) RENMEN1ALDH1A1KMT2A
SCHEMBL9437649 0.83 REN (0.35) RENMEN1ALDH1A1KMT2A
SCHEMBL9437588 0.79 CHRM1 (0.41) AVPR1BCHRM1RENAPOBEC3AAPOBEC3G
SCHEMBL9437628 0.79 AVPR1B (0.40) AVPR1BCHRM1RENAPOBEC3AAPOBEC3G
SCHEMBL9437637 0.79 ALDH1A1 (0.40) AVPR1BCHRM1RENAPOBEC3AAPOBEC3G
SCHEMBL9437651 0.79 AVPR1B (0.40) AVPR1BCHRM1RENAPOBEC3AAPOBEC3G
SCHEMBL7332174 0.77 MMP2 (0.51) CHRM1MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL7332179 0.77 MMP2 (0.51) CHRM1MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL7338091 0.75 ITGB3 (0.48) AVPR1BCHRM1HSD17B10CTSB

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-5332742-A Ocular hypotensive ABBOTT LABORATORIES (US) 1994-07-26 US disclosed