SCHEMBL4734017

SCHEMBL4734017

O=C(Cc1ccc(F)cc1F)N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
POLB P06746 1/20 0.44
DPP7 Q9UHL4 1/20 0.43
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 1/20 0.41
JAK2 O60674 1/20 0.41
DPP9 Q86TI2 1/20 0.41
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
PARP1 P09874 2/20 0.41
PANK3 Q9H999 1/20 0.41
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40

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
Hydrochloric Acid SCHEMBL2847261 0.99 DPP4 (0.47) DPP4HTR2CHTR2BPOLBDPP7
SCHEMBL2548946 0.84 ALDH1A1 (0.48) DPP4POLBDPP7RAB9AKDM4E
SCHEMBL8665194 0.82 L3MBTL1 (0.48) DPP4POLBKDM4ESIGMAR1ALDH1A1
SCHEMBL8908929 0.80 POLB (0.67) DPP4POLBSMN1; SMN2ALDH1A1ME2
Hydrochloric Acid SCHEMBL2848820 0.79 KDM4E (0.42) DPP4HTR2CHTR2BPOLBRAB9A
SCHEMBL4680752 0.79 ALDH1A1 (0.53) HTR2CHTR2BRAB9AALDH1A1PARP1
SCHEMBL4684629 0.79 HTR2C (0.43) DPP4HTR2CHTR2BDPP7KDM4E
SCHEMBL3921321 0.79 L3MBTL1 (0.56) DPP4HTR2CPOLBDPP7SMN1; SMN2
Hydrochloric Acid SCHEMBL21681605 0.78 POLB (0.65) DPP4POLBSMN1; SMN2ALDH1A1ME2
Hydrochloric Acid SCHEMBL17560387 0.78 HTR2C (0.69) DPP4HTR2CHTR2BPOLBRAB9A

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-2008054748-A2 INDAZOLE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS, INC. (US) 2008-05-08 WO disclosed