SCHEMBL9437628

SCHEMBL9437628

CN1CCCN(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)c2n[c]cs2)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 2/20 0.40
CHRM1 P11229 3/20 0.39
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
REN P00797 5/20 0.36
HSD17B10 Q99714 1/20 0.36
CTSB P07858 2/20 0.35
AVPR1A P37288 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34

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
SCHEMBL9437534 0.96 HSD17B10 (0.38) AVPR1BCHRM1ALDH1A1RENHSD17B10
SCHEMBL9437542 0.85 REN (0.41) MEN1ALDH1A1KMT2ARENHSD17B10
SCHEMBL9437551 0.85 MEN1 (0.45) MEN1ALDH1A1KMT2AREN
SCHEMBL9437651 0.84 AVPR1B (0.40) AVPR1BCHRM1APOBEC3AAPOBEC3GMEN1
SCHEMBL9437659 0.84 ALDH1A1 (0.34) MEN1ALDH1A1KMT2AREN
SCHEMBL9437637 0.82 ALDH1A1 (0.40) AVPR1BCHRM1APOBEC3AAPOBEC3GMEN1
SCHEMBL9437610 0.79 HSD17B10 (0.38) AVPR1BCHRM1MEN1ALDH1A1KMT2A
SCHEMBL9437614 0.79 F2 (0.36) MEN1ALDH1A1KMT2ARENHSD17B10
SCHEMBL9437641 0.79 AVPR1B (0.42) AVPR1BCHRM1APOBEC3AAPOBEC3GMEN1
SCHEMBL9437588 0.79 CHRM1 (0.41) AVPR1BCHRM1APOBEC3AAPOBEC3GMEN1

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