SCHEMBL16113263

SCHEMBL16113263

NC1(c2ccc(F)cc2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP3A4 P08684 2/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.51
CCR3 P51677 1/20 0.51
SIGMAR1 Q99720 3/20 0.50
CACNA1G O43497 1/20 0.49
DRD2 P14416 2/20 0.49
ACHE P22303 2/20 0.49
BACE1 P56817 2/20 0.49
OPRM1 P35372 1/20 0.49
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CHRM2 P08172 1/20 0.48
CYP2D6 P10635 1/20 0.48
CHRM3 P20309 1/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48

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
SCHEMBL2476831 0.89 OPRL1 (0.65) OPRL1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL17799025 0.88 OPRL1 (0.55) OPRL1MEN1KMT2ACYP3A4HSD17B10
Hydrochloric Acid SCHEMBL6543403 0.87 POLB (0.66) OPRL1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL31567275 0.87 OPRL1 (0.51) OPRL1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL31223134 0.85 OPRL1 (0.53) OPRL1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL3897579 0.84 CYP2D6 (0.53) OPRL1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL3902216 0.84 CCR3 (0.51) OPRL1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL2702173 0.82 SLC6A3 (0.54) OPRL1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL3408512 0.82 CYP3A4 (0.54) OPRL1MEN1KMT2ACYP3A4HSD17B10
SCHEMBL6110923 0.82 OPRL1 (0.79) OPRL1MEN1KMT2APOLBCCR3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115943144-B Compound serving as PAK4 kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2025-05-13 CN disclosed
CN-115943144-A Compound serving as PAK4 kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2023-04-07 CN disclosed
CN-114075175-A Compound serving as PAK4 kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2022-02-22 CN disclosed
EP-2970200-A1 PYRIDINE CDK9 KINASE INHIBITORS Abbvie Inc. (US) 2016-01-20 EP disclosed
WO-2014160017-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-10-02 WO disclosed