SCHEMBL8046807

SCHEMBL8046807

O=C(NC1CCN(Cc2cc3ccccc3nc2Cl)C1)C1C2CCC(C2)N1S(=O)(=O)CC1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.41
SMYD3 Q9H7B4 10/20 0.41
BCL2 P10415 2/20 0.37
ACKR3 P25106 1/20 0.37
MC4R P32245 3/20 0.35
CCR4 P51679 3/20 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
SCHEMBL7654968 0.77 FAAH (0.60) FAAH
SCHEMBL6977509 0.70 FAAH (0.51) FAAH
SCHEMBL6978579 0.70 LMNA (0.45) FAAHACKR3CCR4
SCHEMBL8045499 0.64 FAAH (0.50) FAAH
SCHEMBL8046739 0.64 TACR1 (0.35) SMYD3
SCHEMBL8043737 0.64 SMYD3 (0.42) SMYD3
SCHEMBL8043736 0.64 SMYD3 (0.42) SMYD3
Hydrochloric Acid SCHEMBL6979904 0.63 FAAH (0.49) FAAH
Hydrochloric Acid SCHEMBL8045138 0.63 FAAH (0.49) FAAH
SCHEMBL23507491 0.62 FAAH (0.60) FAAH

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