SCHEMBL30748569

SCHEMBL30748569

Cc1ccc2cccc(N3CCC(F)(F)CC3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
HTR1A P08908 3/20 0.43
METAP2 P50579 1/20 0.42
CCR1 P32246 1/20 0.40
RAB9A P51151 1/20 0.40
CCR5 P51681 1/20 0.40
CRHBP P24387 1/20 0.40
MAPK1 P28482 1/20 0.40
CRHR2 Q13324 1/20 0.40
ADRB2 P07550 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
SLC6A4 P31645 2/20 0.39
PIM1 P11309 1/20 0.38
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL30748650 0.82 NCF1 (0.42) HTR1AHTR2AHTR2CSLC6A4
SCHEMBL25257753 0.81 POLB (0.48) POLBUSP2LMNATSHRHTR1A
SCHEMBL13769597 0.80 HTR3A (0.54) POLBUSP2LMNATSHRHTR1A
SCHEMBL31373558 0.79 ADRB2 (0.43) POLBUSP2LMNATSHRHTR1A
SCHEMBL31373467 0.79 ADRB2 (0.43) POLBUSP2LMNATSHRHTR1A
SCHEMBL3560188 0.79 HTR2A (0.63) LMNATSHRHTR1AADRB2HTR2A
SCHEMBL25296198 0.79 TSHR (0.50) POLBUSP2LMNATSHRHTR1A
SCHEMBL30600597 0.79 HTR2A (0.63) LMNATSHRHTR1ACCR1CCR5
SCHEMBL24336747 0.78 PIM1 (0.58) POLBUSP2LMNATSHRHTR1A
Hydrochloric Acid SCHEMBL4008999 0.78 HTR2A (0.61) POLBUSP2LMNATSHRHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023217230-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 WO disclosed