SCHEMBL8048468

SCHEMBL8048468

O=C(CCCCc1ccccn1)C1C2CCC(C2)N1S(=O)(=O)CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
RECQL P46063 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMYD3 Q9H7B4 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAB9A P51151 1/20 0.35
PREP P48147 1/20 0.34
CCR5 P51681 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
SCHEMBL8046739 0.84 TACR1 (0.35) SMYD3PREP
SCHEMBL8043206 0.75 GRIN2B (0.39) SMYD3PREP
SCHEMBL8046810 0.75 SMYD3 (0.35) MEN1KMT2ASMYD3ALDH1A1PREP
SCHEMBL8043737 0.71 SMYD3 (0.42) SMYD3
SCHEMBL8043736 0.71 SMYD3 (0.42) SMYD3
SCHEMBL8044025 0.66 SMYD3 (0.38) MEN1KMT2ASMYD3TSHRALDH1A1
SCHEMBL8044030 0.66 SMYD3 (0.38) MEN1KMT2ASMYD3TSHRALDH1A1
SCHEMBL4572679 0.65 HPGD (0.55) HPGDRECQLMEN1KMT2ACYP1A2
SCHEMBL4572677 0.65 HPGD (0.55) HPGDRECQLMEN1KMT2ACYP1A2
SCHEMBL4572675 0.63 HPGD (0.52) HPGDRECQLMEN1KMT2AALDH1A1

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-6121280-A Azabicyclic rotomase inhibitors PFIZER INC. (US) 2000-09-19 US disclosed
EP-0947506-A1 2-Aza-bicyclo[2.2.1]heptane derivatives and their use as rotamase inhibitors Pfizer Products Inc. (US) 1999-10-06 EP disclosed