SCHEMBL20362170

SCHEMBL20362170

C1=CC2(CCCCc3ccccc3)CCC1C2

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
MAOA P21397 2/20 0.36
SIGMAR1 Q99720 5/20 0.35
GRIN2B Q13224 1/20 0.35
CCR3 P51677 1/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOB P27338 3/20 0.35
KDM1A O60341 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
SCHEMBL650713 0.89 KDM1A (0.41) OPRM1OPRL1MAOAMAOBKDM1A
SCHEMBL1978762 0.82
SCHEMBL30180312 0.81 MEN1 (0.36) MAOAGRIN2BMEN1KMT2AMAOB
SCHEMBL443563 0.80 MAOA (0.40) OPRM1OPRL1MAOACYP3A4MAOB
SCHEMBL7120876 0.75
SCHEMBL17912773 0.73 KCNA3 (0.39) SIGMAR1KMT2A
SCHEMBL1010916 0.73 POLA1 (0.31)
SCHEMBL8372326 0.73 POLA1 (0.31)
SCHEMBL152343 0.73 POLA1 (0.31)
SCHEMBL153538 0.73 POLA1 (0.31)

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
EP-3565850-A1 POLYCYCLOOLEFIN POLYMER COMPOSITIONS AS OPTICAL MATERIALS Promerus, LLC (US) 2019-11-13 EP claimed
WO-2018129121-A1 POLYCYCLOOLEFIN POLYMER COMPOSITIONS AS OPTICAL MATERIALS PROMERUS, LLC (US) 2018-07-12 WO claimed