SCHEMBL20749572

SCHEMBL20749572

CC(C)(C)c1ccc(Cc2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.51
OPRD1 P41143 4/20 0.51
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
OPRM1 P35372 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP19A1 P11511 2/20 0.42
OXTR P30559 1/20 0.41

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
SCHEMBL24594596 0.89 OPRD1 (0.54) AVPR1AOPRD1RXRARXRBRXRG
SCHEMBL17269185 0.85 AVPR1A (0.65) AVPR1AOPRD1RXRARXRBRXRG
SCHEMBL36900 0.85 AVPR1A (0.65) AVPR1AOPRD1RXRARXRBRXRG
SCHEMBL22947307 0.85 AVPR1A (0.65) AVPR1AOPRD1RXRARXRBRXRG
SCHEMBL30295579 0.83 AVPR1A (0.63) AVPR1AOPRD1RXRARXRBRXRG
SCHEMBL15746017 0.83 AVPR1A (0.62) AVPR1AOPRD1RXRARXRBRXRG
SCHEMBL7807503 0.83 AVPR1A (0.62) AVPR1AOPRD1RXRARXRBRXRG
SCHEMBL15347565 0.82 AVPR1A (0.60) AVPR1AOPRD1RXRARXRBRXRG
SCHEMBL44434 0.82 RXRA (0.60) AVPR1AOPRD1RXRARXRBRXRG
SCHEMBL6297034 0.82 RXRA (0.60) AVPR1AOPRD1RXRARXRBRXRG

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-3792270-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG ELECTRONICS CO LTD (KR) 2023-12-13 EP disclosed
EP-3444241-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2019-02-20 EP disclosed